3-phenylbenzo[g]isochromen-1-one

C19H12O2 — CID 10849789

IUPAC3-phenylbenzo[g]isochromen-1-one
SMILESO=c1oc(-c2ccccc2)cc2cc3ccccc3cc12
InChIInChI=1S/C19H12O2/c20-19-17-11-15-9-5-4-8-14(15)10-16(17)12-18(21-19)13-6-2-1-3-7-13/h1-12H
InChIKeyLCDLCNVLBGQIMH-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.61
Rot. Bonds1

About 3-phenylbenzo[g]isochromen-1-one

3-phenylbenzo[g]isochromen-1-one (PubChem CID 10849789) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-phenylbenzo[g]isochromen-1-one.

Molecular Properties

Compound Name3-phenylbenzo[g]isochromen-1-one
PubChem CID10849789
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name3-phenylbenzo[g]isochromen-1-one
SMILESO=c1oc(-c2ccccc2)cc2cc3ccccc3cc12
InChIInChI=1S/C19H12O2/c20-19-17-11-15-9-5-4-8-14(15)10-16(17)12-18(21-19)13-6-2-1-3-7-13/h1-12H
InChIKeyLCDLCNVLBGQIMH-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_2', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-phenylisochromen-1-one
CID 62706099
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
1-oxo-3-phenylisochromene-6-carboxylic acid
CID 17015150
3-phenylazuleno[1,2-c]pyran-1-one
CID 165369387
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
naphtho[2,3-c]isochromen-5-one
CID 11379597
14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione
CID 102326334
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
CID 139694615
2-phenylfuro[3,2-g]chromen-7-one
CID 102313013
3-phenylchromen-2-one;hydrochloride
CID 141206894
4-bromo-3,6-diphenylpyran-2-one
CID 100914705
benzo[g][2,3]benzodioxine-1,4-dione
CID 164673026

Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzo[g]isochromen-1-one?
The IUPAC name of 3-phenylbenzo[g]isochromen-1-one (CID 10849789) is 3-phenylbenzo[g]isochromen-1-one.
What is the SMILES notation for 3-phenylbenzo[g]isochromen-1-one?
The canonical SMILES for 3-phenylbenzo[g]isochromen-1-one is O=c1oc(-c2ccccc2)cc2cc3ccccc3cc12.
What is the InChIKey of 3-phenylbenzo[g]isochromen-1-one?
The InChIKey is LCDLCNVLBGQIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c20-19-17-11-15-9-5-4-8-14(15)10-16(17)12-18(21-19)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 3-phenylbenzo[g]isochromen-1-one?
3-phenylbenzo[g]isochromen-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[g]isochromen-1-one is sourced from PubChem (CID 10849789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).