4-chloranyl-5-methyl-2-propan-2-yl-phenol; 4-chloranyl-2-(phenylmethyl)phenol; 1-phenoxyethanol; 1-phenoxypropan-2-ol

Systemtic Name: 4-chloranyl-5-methyl-2-propan-2-yl-phenol; 4-chloranyl-2-(phenylmethyl)phenol; 1-phenoxyethanol; 1-phenoxypropan-2-ol Openeye Name: 2-benzyl-4-chloro-phenol; 4-chloro-2-isopropyl-5-methyl-phenol; 1-phenoxyethanol; 1-phenoxypropan-2-ol CAS Name: 4-chloro-5-methyl-2-propan-2-ylphenol; 4-chloro-2-(phenylmethyl)phenol; 1-phenoxyethanol; 1-phenoxy-2-propanol IUPAC Name: 2-benzyl-4-chlorophenol; 4-chloro-5-methyl-2-propan-2-ylphenol; 1-phenoxyethanol; 1-phenoxypropan-2-ol Traditional Name: 2-benzyl-4-chloro-phenol; 4-chloro-2-isopropyl-5-methyl-phenol; 1-phenoxyethanol; 1-phenoxypropan-2-ol Formula: C40H46Cl2O6 MolecularWeight: 693.69564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)O.CC(COC1=CC=CC=C1)O.CC(O)OC1=CC=CC=C1.C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)O.CC(COC1=CC=CC=C1)O.CC(O)OC1=CC=CC=C1.C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H11ClO.C10H13ClO.C9H12O2.C8H10O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10;1-6(2)8-5-9(11)7(3)4-10(8)12;1-8(10)7-11-9-5-3-2-4-6-9;1-7(9)10-8-5-3-2-4-6-8/h1-7,9,15H,8H2;4-6,12H,1-3H3;2-6,8,10H,7H2,1H3;2-7,9H,1H3