2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol

C11H15ClO2 — CID 117305989

IUPAC2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(Cl)c(C)c1CCCO
InChIInChI=1S/C11H15ClO2/c1-7-6-10(14)11(12)8(2)9(7)4-3-5-13/h6,13-14H,3-5H2,1-2H3
InChIKeyHZWXPGJYAINQGF-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol

2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol (PubChem CID 117305989) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol
PubChem CID117305989
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(Cl)c(C)c1CCCO
InChIInChI=1S/C11H15ClO2/c1-7-6-10(14)11(12)8(2)9(7)4-3-5-13/h6,13-14H,3-5H2,1-2H3
InChIKeyHZWXPGJYAINQGF-UHFFFAOYSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol 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-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
4-chloro-5-methyl-2-nonylbenzene-1,3-diol;formaldehyde
CID 174497632
2,4-bis(hydroxymethyl)-3,5-dimethylphenol
CID 71367739
4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
CID 172819441
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide
CID 175922487
2,5-dichloro-3-octylbenzene-1,4-diol
CID 23042493
3-amino-2-chloro-5-methylbenzene-1,4-diol
CID 84654764
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
CID 117305990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol?
The IUPAC name of 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol (CID 117305989) is 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol.
What is the SMILES notation for 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol?
The canonical SMILES for 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol is Cc1cc(O)c(Cl)c(C)c1CCCO.
What is the InChIKey of 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol?
The InChIKey is HZWXPGJYAINQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-7-6-10(14)11(12)8(2)9(7)4-3-5-13/h6,13-14H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol?
2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol has a molecular weight of 214.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol is sourced from PubChem (CID 117305989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).