1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone

C15H13ClO3 — CID 91863224

IUPAC1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
InChIInChI=1S/C15H13ClO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3
InChIKeyJPPWJTVYLPMANA-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.83
Rot. Bonds4

About 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone

1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone (PubChem CID 91863224) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone
PubChem CID91863224
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
InChIInChI=1S/C15H13ClO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3
InChIKeyJPPWJTVYLPMANA-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone 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 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone (CID 91863224) is 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The InChIKey is JPPWJTVYLPMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone has a molecular weight of 276.72 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 91863224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).