2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one

C19H15ClO4 — CID 11110661

IUPAC2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESCc1c(-c2ccc(Cl)cc2)oc2c3c(ccc2c1=O)OC(CO)C3
InChIInChI=1S/C19H15ClO4/c1-10-17(22)14-6-7-16-15(8-13(9-21)23-16)19(14)24-18(10)11-2-4-12(20)5-3-11/h2-7,13,21H,8-9H2,1H3
InChIKeyUSLWZJYGFIGXOY-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.72
Rot. Bonds2

About 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one

2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one (PubChem CID 11110661) has the molecular formula C19H15ClO4 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one
PubChem CID11110661
Molecular FormulaC19H15ClO4
Molecular Weight342.78 g/mol
Exact Mass342.07
IUPAC Name2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESCc1c(-c2ccc(Cl)cc2)oc2c3c(ccc2c1=O)OC(CO)C3
InChIInChI=1S/C19H15ClO4/c1-10-17(22)14-6-7-16-15(8-13(9-21)23-16)19(14)24-18(10)11-2-4-12(20)5-3-11/h2-7,13,21H,8-9H2,1H3
InChIKeyUSLWZJYGFIGXOY-UHFFFAOYSA-N
XLogP3.72
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one 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-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one (CID 11110661) is 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one is Cc1c(-c2ccc(Cl)cc2)oc2c3c(ccc2c1=O)OC(CO)C3.
What is the InChIKey of 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The InChIKey is USLWZJYGFIGXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO4/c1-10-17(22)14-6-7-16-15(8-13(9-21)23-16)19(14)24-18(10)11-2-4-12(20)5-3-11/h2-7,13,21H,8-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one has a molecular weight of 342.78 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one is sourced from PubChem (CID 11110661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).