3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol

C16H12F2O2 — CID 145102601

IUPAC3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol
SMILESCC1=C(c2cc(F)cc(F)c2)COc2ccc(O)cc21
InChIInChI=1S/C16H12F2O2/c1-9-14-7-13(19)2-3-16(14)20-8-15(9)10-4-11(17)6-12(18)5-10/h2-7,19H,8H2,1H3
InChIKeyOMSHGZZAVMEYQB-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.99
Rot. Bonds1

About 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol

3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol (PubChem CID 145102601) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol
PubChem CID145102601
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol
SMILESCC1=C(c2cc(F)cc(F)c2)COc2ccc(O)cc21
InChIInChI=1S/C16H12F2O2/c1-9-14-7-13(19)2-3-16(14)20-8-15(9)10-4-11(17)6-12(18)5-10/h2-7,19H,8H2,1H3
InChIKeyOMSHGZZAVMEYQB-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-fluorophenyl)-4-methyl-2H-chromen-6-ol
CID 144763197
3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol
CID 121430342
4-(6-hydroxy-4-methyl-2H-chromen-3-yl)-2-methoxybenzonitrile
CID 121430335
ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene
CID 145102650
3-(3-chloro-4-fluorophenyl)-4-methyl-2H-chromen-7-ol
CID 144763236
3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
CID 145102527
3-(4-chlorophenyl)-4-methyl-2H-chromen-7-ol
CID 121430328
3-(fluoromethyl)-1-(2-phenoxyethyl)azetidine;3-(5-fluoro-2-methylphenyl)-4-methyl-2H-chromen-6-ol
CID 145102646
3-fluoro-4-(6-hydroxy-4-methyl-2H-chromen-3-yl)benzonitrile;3-(fluoromethyl)-1-(2-phenoxyethyl)azetidine
CID 144763231
(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine
CID 115019344
(2R)-3-(3,5-difluorophenyl)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol;(2S)-3-(3,5-difluorophenyl)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol
CID 159960870
3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol
CID 155589063

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol?
The IUPAC name of 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol (CID 145102601) is 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol.
What is the SMILES notation for 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol?
The canonical SMILES for 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol is CC1=C(c2cc(F)cc(F)c2)COc2ccc(O)cc21.
What is the InChIKey of 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol?
The InChIKey is OMSHGZZAVMEYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-9-14-7-13(19)2-3-16(14)20-8-15(9)10-4-11(17)6-12(18)5-10/h2-7,19H,8H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol?
3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol has a molecular weight of 274.27 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-4-methyl-2H-chromen-6-ol is sourced from PubChem (CID 145102601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).