2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one

C18H12F2O2 — CID 54442447

IUPAC2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one
SMILESC=CCc1c(-c2cc(F)cc(F)c2)oc2ccccc2c1=O
InChIInChI=1S/C18H12F2O2/c1-2-5-15-17(21)14-6-3-4-7-16(14)22-18(15)11-8-12(19)10-13(20)9-11/h2-4,6-10H,1,5H2
InChIKeyWPBZBDANCORDKH-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.47
Rot. Bonds3

About 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one

2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one (PubChem CID 54442447) has the molecular formula C18H12F2O2 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one
PubChem CID54442447
Molecular FormulaC18H12F2O2
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one
SMILESC=CCc1c(-c2cc(F)cc(F)c2)oc2ccccc2c1=O
InChIInChI=1S/C18H12F2O2/c1-2-5-15-17(21)14-6-3-4-7-16(14)22-18(15)11-8-12(19)10-13(20)9-11/h2-4,6-10H,1,5H2
InChIKeyWPBZBDANCORDKH-UHFFFAOYSA-N
XLogP4.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.47
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

2-phenyl-3-prop-2-enyl-1-benzofuran
CID 15441762
2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one
CID 141233837
7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
CID 135027989
4-hydroxy-3-prop-2-enylchromen-2-one
CID 54710499
4-prop-2-enylchromen-2-one
CID 87576645
4-prop-2-enylxanthen-9-one
CID 19102968
4-but-3-enoxy-3-prop-2-enylchromen-2-one
CID 11230601
3-fluoro-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 162653629
3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one
CID 172638269
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
CID 122542428
(3-prop-2-enyl-1-benzofuran-2-yl)carbamic acid
CID 70452250
4-[2-(4-fluorophenyl)-4-oxochromen-3-yl]benzaldehyde
CID 167313341

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one?
The IUPAC name of 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one (CID 54442447) is 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one?
The canonical SMILES for 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one is C=CCc1c(-c2cc(F)cc(F)c2)oc2ccccc2c1=O.
What is the InChIKey of 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one?
The InChIKey is WPBZBDANCORDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2O2/c1-2-5-15-17(21)14-6-3-4-7-16(14)22-18(15)11-8-12(19)10-13(20)9-11/h2-4,6-10H,1,5H2.
What are the key properties of 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one?
2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one has a molecular weight of 298.29 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one is sourced from PubChem (CID 54442447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).