2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol

C17H19ClO — CID 106866259

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(C)c2C)c(Cl)c1
InChIInChI=1S/C17H19ClO/c1-11-7-8-14(16(18)9-11)10-17(19)15-6-4-5-12(2)13(15)3/h4-9,17,19H,10H2,1-3H3
InChIKeyPXNYHXLKPQRDSH-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.54
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol

2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol (PubChem CID 106866259) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
PubChem CID106866259
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(C)c2C)c(Cl)c1
InChIInChI=1S/C17H19ClO/c1-11-7-8-14(16(18)9-11)10-17(19)15-6-4-5-12(2)13(15)3/h4-9,17,19H,10H2,1-3H3
InChIKeyPXNYHXLKPQRDSH-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
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-chloro-2-methylphenyl)ethanol
CID 106868133
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol
CID 82803178
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 106866608

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol (CID 106866259) is 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol is Cc1ccc(CC(O)c2cccc(C)c2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol?
The InChIKey is PXNYHXLKPQRDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-11-7-8-14(16(18)9-11)10-17(19)15-6-4-5-12(2)13(15)3/h4-9,17,19H,10H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol has a molecular weight of 274.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol is sourced from PubChem (CID 106866259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).