4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one

C20H14O3 — CID 54711585

IUPAC4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1Cc1cccc2ccccc12
InChIInChI=1S/C20H14O3/c21-19-16-10-3-4-11-18(16)23-20(22)17(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,21H,12H2
InChIKeyPRHLSJVWKOFWSE-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.24
Rot. Bonds2

About 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one

4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one (PubChem CID 54711585) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one
PubChem CID54711585
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1Cc1cccc2ccccc12
InChIInChI=1S/C20H14O3/c21-19-16-10-3-4-11-18(16)23-20(22)17(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,21H,12H2
InChIKeyPRHLSJVWKOFWSE-UHFFFAOYSA-N
XLogP4.24
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-(naphthalen-1-ylmethyl)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 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one (CID 54711585) is 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one is O=c1oc2ccccc2c(O)c1Cc1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one?
The InChIKey is PRHLSJVWKOFWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-19-16-10-3-4-11-18(16)23-20(22)17(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,21H,12H2.
What are the key properties of 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one?
4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one has a molecular weight of 302.33 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(naphthalen-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 54711585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).