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

C16H13FO2 — CID 114671977

IUPAC6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccccc1C1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C16H13FO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,16H,9H2,1H3
InChIKeyUVEYHWPZIBBLFX-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.84
Rot. Bonds1

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

6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 114671977) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID114671977
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccccc1C1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C16H13FO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,16H,9H2,1H3
InChIKeyUVEYHWPZIBBLFX-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

2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672012
2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 91411003
2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673693
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087
(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-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672192
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one (CID 114671977) is 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one is Cc1ccccc1C1CC(=O)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is UVEYHWPZIBBLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,16H,9H2,1H3.
What are the key properties of 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
6-fluoro-2-(2-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 6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114671977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).