2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one

C18H15FO2 — CID 122542428

IUPAC2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
SMILESCC(C)c1c(-c2cccc(F)c2)oc2ccccc2c1=O
InChIInChI=1S/C18H15FO2/c1-11(2)16-17(20)14-8-3-4-9-15(14)21-18(16)12-6-5-7-13(19)10-12/h3-11H,1-2H3
InChIKeyGBPJQAVFVLOTQQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.72
Rot. Bonds2

About 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one

2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one (PubChem CID 122542428) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
PubChem CID122542428
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
SMILESCC(C)c1c(-c2cccc(F)c2)oc2ccccc2c1=O
InChIInChI=1S/C18H15FO2/c1-11(2)16-17(20)14-8-3-4-9-15(14)21-18(16)12-6-5-7-13(19)10-12/h3-11H,1-2H3
InChIKeyGBPJQAVFVLOTQQ-UHFFFAOYSA-N
XLogP4.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-3-propan-2-yl-1-benzofuran
CID 11536007
3-but-3-en-2-yl-2-phenylchromen-4-one
CID 102136808
2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 14146827
3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
CID 11077963
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139087024
3-hydroxy-2-naphthalen-2-ylchromen-4-one
CID 10085495
2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one
CID 54442447
2-(1-bromoethyl)-3-(4-fluorophenyl)chromen-4-one
CID 53234761
5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran
CID 123493237
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide
CID 91233829
3-fluoro-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 162653629

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one (CID 122542428) is 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one is CC(C)c1c(-c2cccc(F)c2)oc2ccccc2c1=O.
What is the InChIKey of 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one?
The InChIKey is GBPJQAVFVLOTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c1-11(2)16-17(20)14-8-3-4-9-15(14)21-18(16)12-6-5-7-13(19)10-12/h3-11H,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one?
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one has a molecular weight of 282.31 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one is sourced from PubChem (CID 122542428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).