(1R)-2-chloro-1-(4-methylphenyl)ethanol

C9H11ClO — CID 79006103

IUPAC(1R)-2-chloro-1-(4-methylphenyl)ethanol
SMILESCc1ccc([C@@H](O)CCl)cc1
InChIInChI=1S/C9H11ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6H2,1H3/t9-/m0/s1
InChIKeyHNIOYEPFDGBZMW-VIFPVBQESA-N
MW170.64 g/mol
LogP2.27
Rot. Bonds2

About (1R)-2-chloro-1-(4-methylphenyl)ethanol

(1R)-2-chloro-1-(4-methylphenyl)ethanol (PubChem CID 79006103) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (1R)-2-chloro-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-chloro-1-(4-methylphenyl)ethanol
PubChem CID79006103
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(1R)-2-chloro-1-(4-methylphenyl)ethanol
SMILESCc1ccc([C@@H](O)CCl)cc1
InChIInChI=1S/C9H11ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6H2,1H3/t9-/m0/s1
InChIKeyHNIOYEPFDGBZMW-VIFPVBQESA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R)-2-chloro-1-(4-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

4-[(1S)-2-chloro-1-hydroxyethyl]phenol
CID 93341607
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(1S)-2-chloro-1-phenylethanol
CID 643323
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
CID 139087432
(1S,3R)-1-(4-methylphenyl)butane-1,3-diol
CID 101168301
1-(1,2-dichloroethyl)-4-methylbenzene
CID 587413
1-chloro-5-hydroxy-5-(4-methylphenyl)pentan-2-one
CID 147680290
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol
CID 54350768

Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-1-(4-methylphenyl)ethanol?
The IUPAC name of (1R)-2-chloro-1-(4-methylphenyl)ethanol (CID 79006103) is (1R)-2-chloro-1-(4-methylphenyl)ethanol.
What is the SMILES notation for (1R)-2-chloro-1-(4-methylphenyl)ethanol?
The canonical SMILES for (1R)-2-chloro-1-(4-methylphenyl)ethanol is Cc1ccc([C@@H](O)CCl)cc1.
What is the InChIKey of (1R)-2-chloro-1-(4-methylphenyl)ethanol?
The InChIKey is HNIOYEPFDGBZMW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-2-chloro-1-(4-methylphenyl)ethanol?
(1R)-2-chloro-1-(4-methylphenyl)ethanol has a molecular weight of 170.64 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-chloro-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 79006103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).