4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol

C9H11ClO3 — CID 117291182

IUPAC4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)O)cc1Cl
InChIInChI=1S/C9H11ClO3/c1-5(11)6-3-7(10)9(13-2)4-8(6)12/h3-5,11-12H,1-2H3
InChIKeyYTPVXWQGJMFVCO-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.11
Rot. Bonds2

About 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol

4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol (PubChem CID 117291182) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
PubChem CID117291182
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)O)cc1Cl
InChIInChI=1S/C9H11ClO3/c1-5(11)6-3-7(10)9(13-2)4-8(6)12/h3-5,11-12H,1-2H3
InChIKeyYTPVXWQGJMFVCO-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(1-hydroxyethyl)-5-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

4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
CID 84671120
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile
CID 117283459
4-chloro-5-methoxy-2-methylphenol
CID 21341377
2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(1-fluoroethyl)-4,5-dimethoxyphenol
CID 84669374
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol?
The IUPAC name of 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol (CID 117291182) is 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol.
What is the SMILES notation for 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol?
The canonical SMILES for 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol is COc1cc(O)c(C(C)O)cc1Cl.
What is the InChIKey of 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol?
The InChIKey is YTPVXWQGJMFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3/c1-5(11)6-3-7(10)9(13-2)4-8(6)12/h3-5,11-12H,1-2H3.
What are the key properties of 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol?
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol has a molecular weight of 202.64 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol is sourced from PubChem (CID 117291182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).