1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone

C15H12F2O2 — CID 91499735

IUPAC1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(Cc2cc(F)cc(F)c2)cc1O
InChIInChI=1S/C15H12F2O2/c1-9(18)14-3-2-10(7-15(14)19)4-11-5-12(16)8-13(17)6-11/h2-3,5-8,19H,4H2,1H3
InChIKeyMZKNUGGCQLSWOV-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.46
Rot. Bonds3

About 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone

1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone (PubChem CID 91499735) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone
PubChem CID91499735
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(Cc2cc(F)cc(F)c2)cc1O
InChIInChI=1S/C15H12F2O2/c1-9(18)14-3-2-10(7-15(14)19)4-11-5-12(16)8-13(17)6-11/h2-3,5-8,19H,4H2,1H3
InChIKeyMZKNUGGCQLSWOV-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 70901994
1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone
CID 123412680
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone
CID 90829801
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
1-(2,5-difluoro-3-hydroxyphenyl)ethanone
CID 118998346
4-(fluoromethyl)-2-hydroxybenzenecarbothioic S-acid
CID 87618667
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
CID 62652802
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone (CID 91499735) is 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(Cc2cc(F)cc(F)c2)cc1O.
What is the InChIKey of 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone?
The InChIKey is MZKNUGGCQLSWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-9(18)14-3-2-10(7-15(14)19)4-11-5-12(16)8-13(17)6-11/h2-3,5-8,19H,4H2,1H3.
What are the key properties of 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone?
1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone has a molecular weight of 262.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 91499735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).