1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol

C15H13Cl3O — CID 107103304

IUPAC1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl3O/c1-9-10(4-2-5-12(9)16)15(19)8-11-13(17)6-3-7-14(11)18/h2-7,15,19H,8H2,1H3
InChIKeyFEVOEKJJHSEZJE-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.23
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol

1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol (PubChem CID 107103304) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
PubChem CID107103304
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl3O/c1-9-10(4-2-5-12(9)16)15(19)8-11-13(17)6-3-7-14(11)18/h2-7,15,19H,8H2,1H3
InChIKeyFEVOEKJJHSEZJE-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

Analyze 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
CID 107103370
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 107103457
2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 63411008
2-(2,6-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105084678
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
3-chloro-1-(3-chloro-2-methylphenyl)propane-1,2-diol
CID 171861580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol (CID 107103304) is 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol is Cc1c(Cl)cccc1C(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is FEVOEKJJHSEZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-10(4-2-5-12(9)16)15(19)8-11-13(17)6-3-7-14(11)18/h2-7,15,19H,8H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
1-(3-chloro-2-methylphenyl)-2-(2,6-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 1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 107103304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).