2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone

C14H10F2O3 — CID 121409988

IUPAC2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1cc(O)ccc1O
InChIInChI=1S/C14H10F2O3/c15-9-3-8(4-10(16)6-9)5-14(19)12-7-11(17)1-2-13(12)18/h1-4,6-7,17-18H,5H2
InChIKeyBOHLWOMNVOURGF-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.80
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone

2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone (PubChem CID 121409988) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone
PubChem CID121409988
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1cc(O)ccc1O
InChIInChI=1S/C14H10F2O3/c15-9-3-8(4-10(16)6-9)5-14(19)12-7-11(17)1-2-13(12)18/h1-4,6-7,17-18H,5H2
InChIKeyBOHLWOMNVOURGF-UHFFFAOYSA-N
XLogP2.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
CID 86168502
2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(2,5-dihydroxyphenyl)-2-(methylamino)ethanone
CID 117278643
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone (CID 121409988) is 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1cc(O)ccc1O.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone?
The InChIKey is BOHLWOMNVOURGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c15-9-3-8(4-10(16)6-9)5-14(19)12-7-11(17)1-2-13(12)18/h1-4,6-7,17-18H,5H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone?
2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone has a molecular weight of 264.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone is sourced from PubChem (CID 121409988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).