1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one

C24H16O3 — CID 54742010

IUPAC1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2c(O)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H16O3/c25-23-20(14-15-9-10-16-5-1-2-7-18(16)13-15)24(26)27-21-12-11-17-6-3-4-8-19(17)22(21)23/h1-13,25H,14H2
InChIKeyYKENHACPZONAST-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.40
Rot. Bonds2

About 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one

1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one (PubChem CID 54742010) has the molecular formula C24H16O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one.

Molecular Properties

Compound Name1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one
PubChem CID54742010
Molecular FormulaC24H16O3
Molecular Weight352.39 g/mol
Exact Mass352.11
IUPAC Name1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2c(O)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H16O3/c25-23-20(14-15-9-10-16-5-1-2-7-18(16)13-15)24(26)27-21-12-11-17-6-3-4-8-19(17)22(21)23/h1-13,25H,14H2
InChIKeyYKENHACPZONAST-UHFFFAOYSA-N
XLogP5.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one?
The IUPAC name of 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one (CID 54742010) is 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one.
What is the SMILES notation for 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one?
The canonical SMILES for 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one is O=c1oc2ccc3ccccc3c2c(O)c1Cc1ccc2ccccc2c1.
What is the InChIKey of 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one?
The InChIKey is YKENHACPZONAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O3/c25-23-20(14-15-9-10-16-5-1-2-7-18(16)13-15)24(26)27-21-12-11-17-6-3-4-8-19(17)22(21)23/h1-13,25H,14H2.
What are the key properties of 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one?
1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one has a molecular weight of 352.39 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(naphthalen-2-ylmethyl)benzo[f]chromen-3-one is sourced from PubChem (CID 54742010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).