[5-(3-chlorophenyl)furan-2-yl] acetate

C12H9ClO3 — CID 174501169

IUPAC[5-(3-chlorophenyl)furan-2-yl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H9ClO3/c1-8(14)15-12-6-5-11(16-12)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyWNAAEVDIXCMJRH-UHFFFAOYSA-N
MW236.65 g/mol
LogP3.53
Rot. Bonds2

About [5-(3-chlorophenyl)furan-2-yl] acetate

[5-(3-chlorophenyl)furan-2-yl] acetate (PubChem CID 174501169) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl] acetate.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl] acetate
PubChem CID174501169
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Name[5-(3-chlorophenyl)furan-2-yl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H9ClO3/c1-8(14)15-12-6-5-11(16-12)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyWNAAEVDIXCMJRH-UHFFFAOYSA-N
XLogP3.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(3-chlorophenyl)furan-2-yl] 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 [5-(3-chlorophenyl)furan-2-yl] acetate?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl] acetate (CID 174501169) is [5-(3-chlorophenyl)furan-2-yl] acetate.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl] acetate?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl] acetate is CC(=O)Oc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl] acetate?
The InChIKey is WNAAEVDIXCMJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c1-8(14)15-12-6-5-11(16-12)9-3-2-4-10(13)7-9/h2-7H,1H3.
What are the key properties of [5-(3-chlorophenyl)furan-2-yl] acetate?
[5-(3-chlorophenyl)furan-2-yl] acetate has a molecular weight of 236.65 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)furan-2-yl] acetate is sourced from PubChem (CID 174501169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).