2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one

C16H13FO2 — CID 91411003

IUPAC2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1cccc(C2CC(=O)c3ccccc3O2)c1F
InChIInChI=1S/C16H13FO2/c1-10-5-4-7-12(16(10)17)15-9-13(18)11-6-2-3-8-14(11)19-15/h2-8,15H,9H2,1H3
InChIKeyZHEPCASGWMWRFK-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.84
Rot. Bonds1

About 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one

2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 91411003) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID91411003
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1cccc(C2CC(=O)c3ccccc3O2)c1F
InChIInChI=1S/C16H13FO2/c1-10-5-4-7-12(16(10)17)15-9-13(18)11-6-2-3-8-14(11)19-15/h2-8,15H,9H2,1H3
InChIKeyZHEPCASGWMWRFK-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
2-naphthalen-1-yl-2,3-dihydrochromen-4-one
CID 12753196
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673693
2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one
CID 114671481
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one
CID 129388523
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
6-chloro-2-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672674
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one (CID 91411003) is 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one is Cc1cccc(C2CC(=O)c3ccccc3O2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is ZHEPCASGWMWRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-10-5-4-7-12(16(10)17)15-9-13(18)11-6-2-3-8-14(11)19-15/h2-8,15H,9H2,1H3.
What are the key properties of 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one?
2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 256.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 91411003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).