3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one

C22H18O2 — CID 164686100

IUPAC3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one
SMILESO=c1c(C2C3C=CC(C3)C2c2ccccc2)coc2ccccc12
InChIInChI=1S/C22H18O2/c23-22-17-8-4-5-9-19(17)24-13-18(22)21-16-11-10-15(12-16)20(21)14-6-2-1-3-7-14/h1-11,13,15-16,20-21H,12H2
InChIKeyMWKRWPZGYJWBLC-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.87
Rot. Bonds2

About 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one

3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one (PubChem CID 164686100) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one.

Molecular Properties

Compound Name3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one
PubChem CID164686100
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one
SMILESO=c1c(C2C3C=CC(C3)C2c2ccccc2)coc2ccccc12
InChIInChI=1S/C22H18O2/c23-22-17-8-4-5-9-19(17)24-13-18(22)21-16-11-10-15(12-16)20(21)14-6-2-1-3-7-14/h1-11,13,15-16,20-21H,12H2
InChIKeyMWKRWPZGYJWBLC-UHFFFAOYSA-N
XLogP4.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 143974471
CID 143974471
benzene;3-hydroxychromen-4-one
CID 175480795
(1S,2R,9S,10R)-tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11095035
(1R,2R,4S,5S)-2,4-diphenylbicyclo[3.2.1]oct-6-en-3-one
CID 10978676
6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile
CID 139230254
3-[(1R,3S)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-1-yl]chromen-4-one
CID 127043821
5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene
CID 67143364
3-phenylchromen-4-one;phosphane
CID 174413449
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
ethane;3-phenylchromen-4-one
CID 90946880
2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
CID 72810386
(2R,6S)-4-(1,2-benzoxazol-3-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 59164733

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one?
The IUPAC name of 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one (CID 164686100) is 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one.
What is the SMILES notation for 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one?
The canonical SMILES for 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one is O=c1c(C2C3C=CC(C3)C2c2ccccc2)coc2ccccc12.
What is the InChIKey of 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one?
The InChIKey is MWKRWPZGYJWBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-22-17-8-4-5-9-19(17)24-13-18(22)21-16-11-10-15(12-16)20(21)14-6-2-1-3-7-14/h1-11,13,15-16,20-21H,12H2.
What are the key properties of 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one?
3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one has a molecular weight of 314.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one is sourced from PubChem (CID 164686100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).