6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one

C20H18O3 — CID 141391695

IUPAC6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one
SMILESO=c1ccc2cc(-c3ccc(C4CCCC4)cc3O)ccc2o1
InChIInChI=1S/C20H18O3/c21-18-12-14(13-3-1-2-4-13)5-8-17(18)15-6-9-19-16(11-15)7-10-20(22)23-19/h5-13,21H,1-4H2
InChIKeyNREOCBAEOGGUGC-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.82
Rot. Bonds2

About 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one

6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one (PubChem CID 141391695) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one.

Molecular Properties

Compound Name6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one
PubChem CID141391695
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one
SMILESO=c1ccc2cc(-c3ccc(C4CCCC4)cc3O)ccc2o1
InChIInChI=1S/C20H18O3/c21-18-12-14(13-3-1-2-4-13)5-8-17(18)15-6-9-19-16(11-15)7-10-20(22)23-19/h5-13,21H,1-4H2
InChIKeyNREOCBAEOGGUGC-UHFFFAOYSA-N
XLogP4.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-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 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one?
The IUPAC name of 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one (CID 141391695) is 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one.
What is the SMILES notation for 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one?
The canonical SMILES for 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one is O=c1ccc2cc(-c3ccc(C4CCCC4)cc3O)ccc2o1.
What is the InChIKey of 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one?
The InChIKey is NREOCBAEOGGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c21-18-12-14(13-3-1-2-4-13)5-8-17(18)15-6-9-19-16(11-15)7-10-20(22)23-19/h5-13,21H,1-4H2.
What are the key properties of 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one?
6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one has a molecular weight of 306.36 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentyl-2-hydroxyphenyl)chromen-2-one is sourced from PubChem (CID 141391695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).