(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol

C12H17ClO — CID 97293385

IUPAC(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
SMILESCCC[C@H](O)c1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C12H17ClO/c1-4-5-11(14)10-6-8(2)12(13)9(3)7-10/h6-7,11,14H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyISLQZZMYMOLPHJ-NSHDSACASA-N
MW212.72 g/mol
LogP3.79
Rot. Bonds3

About (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol

(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol (PubChem CID 97293385) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
PubChem CID97293385
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
SMILESCCC[C@H](O)c1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C12H17ClO/c1-4-5-11(14)10-6-8(2)12(13)9(3)7-10/h6-7,11,14H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyISLQZZMYMOLPHJ-NSHDSACASA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
CID 84775613
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
1-(4-chloro-3,5-dimethylphenyl)but-3-en-1-ol
CID 91655528
1-(5,6-dimethyl-3-pyridinyl)butan-1-ol
CID 130560260
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol
CID 83953068
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
5-(1-hydroxybutyl)-2-methylphenol
CID 88978694
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol?
The IUPAC name of (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol (CID 97293385) is (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol.
What is the SMILES notation for (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol?
The canonical SMILES for (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol is CCC[C@H](O)c1cc(C)c(Cl)c(C)c1.
What is the InChIKey of (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol?
The InChIKey is ISLQZZMYMOLPHJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H17ClO/c1-4-5-11(14)10-6-8(2)12(13)9(3)7-10/h6-7,11,14H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol?
(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 97293385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).