3-(3-chloro-2,5-dimethylphenyl)propan-1-ol

C11H15ClO — CID 117288127

IUPAC3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(C)c(CCCO)c1
InChIInChI=1S/C11H15ClO/c1-8-6-10(4-3-5-13)9(2)11(12)7-8/h6-7,13H,3-5H2,1-2H3
InChIKeyIYCFYJSXSRQZLR-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.88
Rot. Bonds3

About 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol

3-(3-chloro-2,5-dimethylphenyl)propan-1-ol (PubChem CID 117288127) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
PubChem CID117288127
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(C)c(CCCO)c1
InChIInChI=1S/C11H15ClO/c1-8-6-10(4-3-5-13)9(2)11(12)7-8/h6-7,13H,3-5H2,1-2H3
InChIKeyIYCFYJSXSRQZLR-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2,5-dimethylphenyl)acetyl chloride
CID 163303747
1-[2-(3-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481526
2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
CID 117279810
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol
CID 151831322
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
CID 117369472
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 84714681
2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
CID 117305990
2-chloro-4-methyl-6-propylbenzoic acid
CID 142472953
3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol (CID 117288127) is 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol is Cc1cc(Cl)c(C)c(CCCO)c1.
What is the InChIKey of 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol?
The InChIKey is IYCFYJSXSRQZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8-6-10(4-3-5-13)9(2)11(12)7-8/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol?
3-(3-chloro-2,5-dimethylphenyl)propan-1-ol has a molecular weight of 198.69 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 117288127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).