2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol

C10H13ClO3 — CID 117308664

IUPAC2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
SMILESCOc1cc(Cl)c(O)c(CC(C)O)c1
InChIInChI=1S/C10H13ClO3/c1-6(12)3-7-4-8(14-2)5-9(11)10(7)13/h4-6,12-13H,3H2,1-2H3
InChIKeyFLHDVGFSIDNVOF-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.98
Rot. Bonds3

About 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol

2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol (PubChem CID 117308664) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
PubChem CID117308664
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
SMILESCOc1cc(Cl)c(O)c(CC(C)O)c1
InChIInChI=1S/C10H13ClO3/c1-6(12)3-7-4-8(14-2)5-9(11)10(7)13/h4-6,12-13H,3H2,1-2H3
InChIKeyFLHDVGFSIDNVOF-UHFFFAOYSA-N
XLogP1.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol 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

2-chloro-6-[(hydroxyamino)methyl]-4-methoxyphenol
CID 117292196
1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 83886474
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
3-(3-chloro-2-hydroxy-5-methoxyphenyl)propanal
CID 117305889
2-chloro-6-(isocyanatomethyl)-4-methoxyphenol
CID 117304576
3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117291165
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
CID 117448579
2-chloro-4-methoxy-6-methylphenol
CID 122163446
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
CID 117300552
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol?
The IUPAC name of 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol (CID 117308664) is 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol.
What is the SMILES notation for 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol?
The canonical SMILES for 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol is COc1cc(Cl)c(O)c(CC(C)O)c1.
What is the InChIKey of 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol?
The InChIKey is FLHDVGFSIDNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-6(12)3-7-4-8(14-2)5-9(11)10(7)13/h4-6,12-13H,3H2,1-2H3.
What are the key properties of 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol?
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol has a molecular weight of 216.66 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol is sourced from PubChem (CID 117308664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).