3-phenylazuleno[1,2-c]pyran-1-one

C19H12O2 — CID 165369387

IUPAC3-phenylazuleno[1,2-c]pyran-1-one
SMILESO=c1oc(-c2ccccc2)cc2cc3cccccc-3c12
InChIInChI=1S/C19H12O2/c20-19-18-15(11-14-9-5-2-6-10-16(14)18)12-17(21-19)13-7-3-1-4-8-13/h1-12H
InChIKeyIEZKGNMRCHYYGK-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.56
Rot. Bonds1

About 3-phenylazuleno[1,2-c]pyran-1-one

3-phenylazuleno[1,2-c]pyran-1-one (PubChem CID 165369387) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-phenylazuleno[1,2-c]pyran-1-one.

Molecular Properties

Compound Name3-phenylazuleno[1,2-c]pyran-1-one
PubChem CID165369387
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name3-phenylazuleno[1,2-c]pyran-1-one
SMILESO=c1oc(-c2ccccc2)cc2cc3cccccc-3c12
InChIInChI=1S/C19H12O2/c20-19-18-15(11-14-9-5-2-6-10-16(14)18)12-17(21-19)13-7-3-1-4-8-13/h1-12H
InChIKeyIEZKGNMRCHYYGK-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)azuleno[1,2-c]pyran-1-one
CID 165369400
6-methyl-3-phenyl-7H-pyrano[3,4-c]pyridine-1,8-dione
CID 24773442
3-phenylbenzo[g]isochromen-1-one
CID 10849789
2,5-diphenylchromen-4-one
CID 71424268
4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione
CID 12027710
7-chloro-3-phenylisochromen-1-one
CID 62706099
methyl 1-oxo-3-phenylisochromene-8-carboxylate
CID 13466316
7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one
CID 121242464
1-oxo-3-phenylisochromene-6-carboxylic acid
CID 17015150
3-phenylchromen-2-one;hydrochloride
CID 141206894
4-bromo-3,6-diphenylpyran-2-one
CID 100914705
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855

Frequently Asked Questions

What is the IUPAC name of 3-phenylazuleno[1,2-c]pyran-1-one?
The IUPAC name of 3-phenylazuleno[1,2-c]pyran-1-one (CID 165369387) is 3-phenylazuleno[1,2-c]pyran-1-one.
What is the SMILES notation for 3-phenylazuleno[1,2-c]pyran-1-one?
The canonical SMILES for 3-phenylazuleno[1,2-c]pyran-1-one is O=c1oc(-c2ccccc2)cc2cc3cccccc-3c12.
What is the InChIKey of 3-phenylazuleno[1,2-c]pyran-1-one?
The InChIKey is IEZKGNMRCHYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c20-19-18-15(11-14-9-5-2-6-10-16(14)18)12-17(21-19)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 3-phenylazuleno[1,2-c]pyran-1-one?
3-phenylazuleno[1,2-c]pyran-1-one has a molecular weight of 272.30 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylazuleno[1,2-c]pyran-1-one is sourced from PubChem (CID 165369387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).