3-phenylbenzo[f]chromen-1-one

C19H12O2 — CID 2361

IUPAC3-phenylbenzo[f]chromen-1-one
SMILESO=c1cc(-c2ccccc2)oc2ccc3ccccc3c12
InChIInChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChIKeyOUGIDAPQYNCXRA-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.61
Rot. Bonds1

About 3-phenylbenzo[f]chromen-1-one

3-phenylbenzo[f]chromen-1-one (PubChem CID 2361) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-phenylbenzo[f]chromen-1-one.

Molecular Properties

Compound Name3-phenylbenzo[f]chromen-1-one
PubChem CID2361
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name3-phenylbenzo[f]chromen-1-one
SMILESO=c1cc(-c2ccccc2)oc2ccc3ccccc3c12
InChIInChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChIKeyOUGIDAPQYNCXRA-UHFFFAOYSA-N
XLogP4.61
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzo[f]chromen-1-one?
The IUPAC name of 3-phenylbenzo[f]chromen-1-one (CID 2361) is 3-phenylbenzo[f]chromen-1-one.
What is the SMILES notation for 3-phenylbenzo[f]chromen-1-one?
The canonical SMILES for 3-phenylbenzo[f]chromen-1-one is O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12.
What is the InChIKey of 3-phenylbenzo[f]chromen-1-one?
The InChIKey is OUGIDAPQYNCXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H.
What are the key properties of 3-phenylbenzo[f]chromen-1-one?
3-phenylbenzo[f]chromen-1-one has a molecular weight of 272.30 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzo[f]chromen-1-one is sourced from PubChem (CID 2361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).