4-hydroxy-3-naphthalen-1-ylchromen-2-one

C19H12O3 — CID 54678442

IUPAC4-hydroxy-3-naphthalen-1-ylchromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1cccc2ccccc12
InChIInChI=1S/C19H12O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,20H
InChIKeyHOHNSHNCSSSVEW-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.32
Rot. Bonds1

About 4-hydroxy-3-naphthalen-1-ylchromen-2-one

4-hydroxy-3-naphthalen-1-ylchromen-2-one (PubChem CID 54678442) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-hydroxy-3-naphthalen-1-ylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-naphthalen-1-ylchromen-2-one
PubChem CID54678442
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name4-hydroxy-3-naphthalen-1-ylchromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1cccc2ccccc12
InChIInChI=1S/C19H12O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,20H
InChIKeyHOHNSHNCSSSVEW-UHFFFAOYSA-N
XLogP4.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-naphthalen-1-ylchromen-2-one?
The IUPAC name of 4-hydroxy-3-naphthalen-1-ylchromen-2-one (CID 54678442) is 4-hydroxy-3-naphthalen-1-ylchromen-2-one.
What is the SMILES notation for 4-hydroxy-3-naphthalen-1-ylchromen-2-one?
The canonical SMILES for 4-hydroxy-3-naphthalen-1-ylchromen-2-one is O=c1oc2ccccc2c(O)c1-c1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-3-naphthalen-1-ylchromen-2-one?
The InChIKey is HOHNSHNCSSSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,20H.
What are the key properties of 4-hydroxy-3-naphthalen-1-ylchromen-2-one?
4-hydroxy-3-naphthalen-1-ylchromen-2-one has a molecular weight of 288.30 g/mol, XLogP of 4.32, 1 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-ylchromen-2-one is sourced from PubChem (CID 54678442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).