2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one

C17H15FO2 — CID 114672012

IUPAC2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESCc1ccc(C)c(C2CC(=O)c3cc(F)ccc3O2)c1
InChIInChI=1S/C17H15FO2/c1-10-3-4-11(2)13(7-10)17-9-15(19)14-8-12(18)5-6-16(14)20-17/h3-8,17H,9H2,1-2H3
InChIKeyMVFNCJQZMWCRCS-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.15
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one

2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one (PubChem CID 114672012) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
PubChem CID114672012
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESCc1ccc(C)c(C2CC(=O)c3cc(F)ccc3O2)c1
InChIInChI=1S/C17H15FO2/c1-10-3-4-11(2)13(7-10)17-9-15(19)14-8-12(18)5-6-16(14)20-17/h3-8,17H,9H2,1-2H3
InChIKeyMVFNCJQZMWCRCS-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.15
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-(2-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816
2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673693
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243
6-bromo-2-(2,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114674291
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673641
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672192
2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114270731
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 692769

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one (CID 114672012) is 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one is Cc1ccc(C)c(C2CC(=O)c3cc(F)ccc3O2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is MVFNCJQZMWCRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-10-3-4-11(2)13(7-10)17-9-15(19)14-8-12(18)5-6-16(14)20-17/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one?
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 270.30 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).