2-(3-chloro-4-hydroxyphenyl)ethyl acetate

C10H11ClO3 — CID 139884995

IUPAC2-(3-chloro-4-hydroxyphenyl)ethyl acetate
SMILESCC(=O)OCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-7(12)14-5-4-8-2-3-10(13)9(11)6-8/h2-3,6,13H,4-5H2,1H3
InChIKeyNWVRPBFXNFSFRY-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.15
Rot. Bonds3

About 2-(3-chloro-4-hydroxyphenyl)ethyl acetate

2-(3-chloro-4-hydroxyphenyl)ethyl acetate (PubChem CID 139884995) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)ethyl acetate
PubChem CID139884995
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(3-chloro-4-hydroxyphenyl)ethyl acetate
SMILESCC(=O)OCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-7(12)14-5-4-8-2-3-10(13)9(11)6-8/h2-3,6,13H,4-5H2,1H3
InChIKeyNWVRPBFXNFSFRY-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-hydroxyphenyl)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)ethyl acetate?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)ethyl acetate (CID 139884995) is 2-(3-chloro-4-hydroxyphenyl)ethyl acetate.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)ethyl acetate?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)ethyl acetate is CC(=O)OCCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)ethyl acetate?
The InChIKey is NWVRPBFXNFSFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-7(12)14-5-4-8-2-3-10(13)9(11)6-8/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)ethyl acetate?
2-(3-chloro-4-hydroxyphenyl)ethyl acetate has a molecular weight of 214.65 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)ethyl acetate is sourced from PubChem (CID 139884995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).