(4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone

C16H11ClO3 — CID 876279

IUPAC(4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccc(O)cc2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClO3/c1-9-15(13-8-12(18)6-7-14(13)20-9)16(19)10-2-4-11(17)5-3-10/h2-8,18H,1H3
InChIKeyRQJUMXBPOLCXAH-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.33
Rot. Bonds2

About (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone

(4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone (PubChem CID 876279) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
PubChem CID876279
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name(4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccc(O)cc2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClO3/c1-9-15(13-8-12(18)6-7-14(13)20-9)16(19)10-2-4-11(17)5-3-10/h2-8,18H,1H3
InChIKeyRQJUMXBPOLCXAH-UHFFFAOYSA-N
XLogP4.33
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone 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 (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone (CID 876279) is (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone is Cc1oc2ccc(O)cc2c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
The InChIKey is RQJUMXBPOLCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-9-15(13-8-12(18)6-7-14(13)20-9)16(19)10-2-4-11(17)5-3-10/h2-8,18H,1H3.
What are the key properties of (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
(4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 286.71 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 876279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).