1-(3-chloro-4-methylphenyl)hexan-3-ol

C13H19ClO — CID 107561010

IUPAC1-(3-chloro-4-methylphenyl)hexan-3-ol
SMILESCCCC(O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClO/c1-3-4-12(15)8-7-11-6-5-10(2)13(14)9-11/h5-6,9,12,15H,3-4,7-8H2,1-2H3
InChIKeyQTEPZSDUUXSDJT-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)hexan-3-ol

1-(3-chloro-4-methylphenyl)hexan-3-ol (PubChem CID 107561010) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)hexan-3-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)hexan-3-ol
PubChem CID107561010
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(3-chloro-4-methylphenyl)hexan-3-ol
SMILESCCCC(O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClO/c1-3-4-12(15)8-7-11-6-5-10(2)13(14)9-11/h5-6,9,12,15H,3-4,7-8H2,1-2H3
InChIKeyQTEPZSDUUXSDJT-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane
CID 177363709
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CID 83937420
(2S)-2-[3-(3-chloro-4-methylphenyl)propanoylamino]hexanoic acid
CID 107144182
4-(3,4-dimethylphenyl)butane-1,2-diol
CID 83927957
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 107562190
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
1-(2,3-difluoro-4-methylphenyl)hexan-3-ol
CID 107514399
1-(3-tert-butyl-4-methylphenyl)heptane-3,4-diol
CID 83939274
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
5-methylbenzene-1,3-dicarboxylic acid;1-phenylhexan-3-ol
CID 174750919

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)hexan-3-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)hexan-3-ol (CID 107561010) is 1-(3-chloro-4-methylphenyl)hexan-3-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)hexan-3-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)hexan-3-ol is CCCC(O)CCc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)hexan-3-ol?
The InChIKey is QTEPZSDUUXSDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-3-4-12(15)8-7-11-6-5-10(2)13(14)9-11/h5-6,9,12,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)hexan-3-ol?
1-(3-chloro-4-methylphenyl)hexan-3-ol has a molecular weight of 226.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)hexan-3-ol is sourced from PubChem (CID 107561010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).