1-benzoylbenzo[c]chromen-6-one

C20H12O3 — CID 21258648

IUPAC1-benzoylbenzo[c]chromen-6-one
SMILESO=C(c1ccccc1)c1cccc2oc(=O)c3ccccc3c12
InChIInChI=1S/C20H12O3/c21-19(13-7-2-1-3-8-13)16-11-6-12-17-18(16)14-9-4-5-10-15(14)20(22)23-17/h1-12H
InChIKeySGYGAYVOPBAANH-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.18
Rot. Bonds2

About 1-benzoylbenzo[c]chromen-6-one

1-benzoylbenzo[c]chromen-6-one (PubChem CID 21258648) has the molecular formula C20H12O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-benzoylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-benzoylbenzo[c]chromen-6-one
PubChem CID21258648
Molecular FormulaC20H12O3
Molecular Weight300.31 g/mol
Exact Mass300.08
IUPAC Name1-benzoylbenzo[c]chromen-6-one
SMILESO=C(c1ccccc1)c1cccc2oc(=O)c3ccccc3c12
InChIInChI=1S/C20H12O3/c21-19(13-7-2-1-3-8-13)16-11-6-12-17-18(16)14-9-4-5-10-15(14)20(22)23-17/h1-12H
InChIKeySGYGAYVOPBAANH-UHFFFAOYSA-N
XLogP4.18
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
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-benzoylbenzo[c]chromen-6-one?
The IUPAC name of 1-benzoylbenzo[c]chromen-6-one (CID 21258648) is 1-benzoylbenzo[c]chromen-6-one.
What is the SMILES notation for 1-benzoylbenzo[c]chromen-6-one?
The canonical SMILES for 1-benzoylbenzo[c]chromen-6-one is O=C(c1ccccc1)c1cccc2oc(=O)c3ccccc3c12.
What is the InChIKey of 1-benzoylbenzo[c]chromen-6-one?
The InChIKey is SGYGAYVOPBAANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O3/c21-19(13-7-2-1-3-8-13)16-11-6-12-17-18(16)14-9-4-5-10-15(14)20(22)23-17/h1-12H.
What are the key properties of 1-benzoylbenzo[c]chromen-6-one?
1-benzoylbenzo[c]chromen-6-one has a molecular weight of 300.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylbenzo[c]chromen-6-one is sourced from PubChem (CID 21258648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).