7-(furan-2-yl)-3-phenylchromen-2-one

C19H12O3 — CID 59685532

IUPAC7-(furan-2-yl)-3-phenylchromen-2-one
SMILESO=c1oc2cc(-c3ccco3)ccc2cc1-c1ccccc1
InChIInChI=1S/C19H12O3/c20-19-16(13-5-2-1-3-6-13)11-14-8-9-15(12-18(14)22-19)17-7-4-10-21-17/h1-12H
InChIKeySAEDLNSUFPQJTP-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.72
Rot. Bonds2

About 7-(furan-2-yl)-3-phenylchromen-2-one

7-(furan-2-yl)-3-phenylchromen-2-one (PubChem CID 59685532) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 7-(furan-2-yl)-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-(furan-2-yl)-3-phenylchromen-2-one
PubChem CID59685532
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name7-(furan-2-yl)-3-phenylchromen-2-one
SMILESO=c1oc2cc(-c3ccco3)ccc2cc1-c1ccccc1
InChIInChI=1S/C19H12O3/c20-19-16(13-5-2-1-3-6-13)11-14-8-9-15(12-18(14)22-19)17-7-4-10-21-17/h1-12H
InChIKeySAEDLNSUFPQJTP-UHFFFAOYSA-N
XLogP4.72
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Coumafuryl
CID 54689800
3-Acetylphenyl benzoate
CID 266111
Methyl 4-(4-Oxo-4h-Chromen-2-Yl)benzoate
CID 14735886
(R)(+)-7-methyl-2-phenylchroman-4-one
CID 46232081
7-((3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy)methyl)-4-(furan-3-yl)-2H-chromen-2-one
CID 9910119
2-(3-Oxoprop-1-en-1-yl)phenyl benzoate
CID 10467367
Coumafuryl sodium
CID 23707507
4-(Fur-2-yl)benzoic acid
CID 5138791
Mls002703530
CID 264849
ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
CID 2825269
4-[3-(Benzyloxy)benzoyl]benzoic acid
CID 11702714
(S)(+)-7-methyl-2-phenylchroman-4-one
CID 46232141

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-3-phenylchromen-2-one?
The IUPAC name of 7-(furan-2-yl)-3-phenylchromen-2-one (CID 59685532) is 7-(furan-2-yl)-3-phenylchromen-2-one.
What is the SMILES notation for 7-(furan-2-yl)-3-phenylchromen-2-one?
The canonical SMILES for 7-(furan-2-yl)-3-phenylchromen-2-one is O=c1oc2cc(-c3ccco3)ccc2cc1-c1ccccc1.
What is the InChIKey of 7-(furan-2-yl)-3-phenylchromen-2-one?
The InChIKey is SAEDLNSUFPQJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-19-16(13-5-2-1-3-6-13)11-14-8-9-15(12-18(14)22-19)17-7-4-10-21-17/h1-12H.
What are the key properties of 7-(furan-2-yl)-3-phenylchromen-2-one?
7-(furan-2-yl)-3-phenylchromen-2-one has a molecular weight of 288.30 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-3-phenylchromen-2-one is sourced from PubChem (CID 59685532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).