1,2-bis(2-chloro-4-methylphenyl)ethanol

C16H16Cl2O — CID 106868189

IUPAC1,2-bis(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(C)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-10-3-5-12(14(17)7-10)9-16(19)13-6-4-11(2)8-15(13)18/h3-8,16,19H,9H2,1-2H3
InChIKeyYVJRYNWNOIKYEE-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.89
Rot. Bonds3

About 1,2-bis(2-chloro-4-methylphenyl)ethanol

1,2-bis(2-chloro-4-methylphenyl)ethanol (PubChem CID 106868189) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1,2-bis(2-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1,2-bis(2-chloro-4-methylphenyl)ethanol
PubChem CID106868189
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1,2-bis(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(C)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-10-3-5-12(14(17)7-10)9-16(19)13-6-4-11(2)8-15(13)18/h3-8,16,19H,9H2,1-2H3
InChIKeyYVJRYNWNOIKYEE-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 106859159
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chloro-4-methylphenyl)ethanol?
The IUPAC name of 1,2-bis(2-chloro-4-methylphenyl)ethanol (CID 106868189) is 1,2-bis(2-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 1,2-bis(2-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 1,2-bis(2-chloro-4-methylphenyl)ethanol is Cc1ccc(CC(O)c2ccc(C)cc2Cl)c(Cl)c1.
What is the InChIKey of 1,2-bis(2-chloro-4-methylphenyl)ethanol?
The InChIKey is YVJRYNWNOIKYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-10-3-5-12(14(17)7-10)9-16(19)13-6-4-11(2)8-15(13)18/h3-8,16,19H,9H2,1-2H3.
What are the key properties of 1,2-bis(2-chloro-4-methylphenyl)ethanol?
1,2-bis(2-chloro-4-methylphenyl)ethanol has a molecular weight of 295.21 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 106868189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).