(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol

C9H10Cl2O — CID 143190021

IUPAC(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
SMILESCc1ccc(Cl)c([C@H](C)O)c1Cl
InChIInChI=1S/C9H10Cl2O/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4,6,12H,1-2H3/t6-/m0/s1
InChIKeyVJNZFFUQQSOEOH-LURJTMIESA-N
MW205.08 g/mol
LogP3.36
Rot. Bonds1

About (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol

(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol (PubChem CID 143190021) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
PubChem CID143190021
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
SMILESCc1ccc(Cl)c([C@H](C)O)c1Cl
InChIInChI=1S/C9H10Cl2O/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4,6,12H,1-2H3/t6-/m0/s1
InChIKeyVJNZFFUQQSOEOH-LURJTMIESA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2,6-dichloro-3-methylphenyl)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

(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol
CID 131115673
N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-methylbenzenesulfonamide
CID 118188646
(1R,2S)-1-amino-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131407763
2,3-bis(1-hydroxyethyl)-4-methylphenol
CID 22486739
1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol
CID 164895610
1-(5-chloro-1-benzofuran-4-yl)ethanol
CID 117286507
4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol
CID 82265408
N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide
CID 63174252
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol
CID 84671170
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117291204
1-(2-methoxy-3,6-dimethylphenyl)ethanol
CID 117278453

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol?
The IUPAC name of (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol (CID 143190021) is (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol?
The canonical SMILES for (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol is Cc1ccc(Cl)c([C@H](C)O)c1Cl.
What is the InChIKey of (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol?
The InChIKey is VJNZFFUQQSOEOH-LURJTMIESA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4,6,12H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol?
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol has a molecular weight of 205.08 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dichloro-3-methylphenyl)ethanol is sourced from PubChem (CID 143190021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).