2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one

C16H12F2O3 — CID 114673920

IUPAC2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1cccc(F)c1F)O2
InChIInChI=1S/C16H12F2O3/c1-20-9-5-6-14-11(7-9)13(19)8-15(21-14)10-3-2-4-12(17)16(10)18/h2-7,15H,8H2,1H3
InChIKeyKXHLULYCHWKXBZ-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.68
Rot. Bonds2

About 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one

2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 114673920) has the molecular formula C16H12F2O3 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID114673920
Molecular FormulaC16H12F2O3
Molecular Weight290.26 g/mol
Exact Mass290.08
IUPAC Name2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1cccc(F)c1F)O2
InChIInChI=1S/C16H12F2O3/c1-20-9-5-6-14-11(7-9)13(19)8-15(21-14)10-3-2-4-12(17)16(10)18/h2-7,15H,8H2,1H3
InChIKeyKXHLULYCHWKXBZ-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673847
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
6-chloro-2-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672674
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114674062
2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 91411003

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one (CID 114673920) is 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)CC(c1cccc(F)c1F)O2.
What is the InChIKey of 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is KXHLULYCHWKXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O3/c1-20-9-5-6-14-11(7-9)13(19)8-15(21-14)10-3-2-4-12(17)16(10)18/h2-7,15H,8H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 290.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).