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

C10H13ClO — CID 83000699

IUPAC(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc([C@@H](O)CCl)cc1C
InChIInChI=1S/C10H13ClO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5,10,12H,6H2,1-2H3/t10-/m0/s1
InChIKeyONKTYQKESNPTOB-JTQLQIEISA-N
MW184.67 g/mol
LogP2.58
Rot. Bonds2

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

(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol (PubChem CID 83000699) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
PubChem CID83000699
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc([C@@H](O)CCl)cc1C
InChIInChI=1S/C10H13ClO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5,10,12H,6H2,1-2H3/t10-/m0/s1
InChIKeyONKTYQKESNPTOB-JTQLQIEISA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135826
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105091703
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
CID 82123660

Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol (CID 83000699) is (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol is Cc1ccc([C@@H](O)CCl)cc1C.
What is the InChIKey of (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is ONKTYQKESNPTOB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13ClO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5,10,12H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of (1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol?
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 184.67 g/mol, XLogP of 2.58, 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-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 83000699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).