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

C15H13Cl3O — CID 106866180

IUPAC2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-2-3-10(13(17)6-9)8-15(19)11-4-5-12(16)14(18)7-11/h2-7,15,19H,8H2,1H3
InChIKeyCVYWCDCLBXQVMO-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.23
Rot. Bonds3

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

2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 106866180) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
PubChem CID106866180
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-2-3-10(13(17)6-9)8-15(19)11-4-5-12(16)14(18)7-11/h2-7,15,19H,8H2,1H3
InChIKeyCVYWCDCLBXQVMO-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 106866193
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2-chloro-4-methylphenyl)-1-(5-chloro-1,3-thiazol-2-yl)ethanol
CID 107124945
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol (CID 106866180) is 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol is Cc1ccc(CC(O)c2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is CVYWCDCLBXQVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-2-3-10(13(17)6-9)8-15(19)11-4-5-12(16)14(18)7-11/h2-7,15,19H,8H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 315.63 g/mol, XLogP of 5.23, 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-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 106866180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).