(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone

C13H8F2O3 — CID 117000378

IUPAC(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8F2O3/c14-9-3-1-7(5-10(9)15)13(18)8-2-4-11(16)12(17)6-8/h1-6,16-17H
InChIKeyJFQWQOPBMBQLRW-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.61
Rot. Bonds2

About (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone

(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone (PubChem CID 117000378) has the molecular formula C13H8F2O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
PubChem CID117000378
Molecular FormulaC13H8F2O3
Molecular Weight250.20 g/mol
Exact Mass250.04
IUPAC Name(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8F2O3/c14-9-3-1-7(5-10(9)15)13(18)8-2-4-11(16)12(17)6-8/h1-6,16-17H
InChIKeyJFQWQOPBMBQLRW-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
CID 23509276
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
CID 19931688
(3,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 129260082
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone (CID 117000378) is (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone is O=C(c1ccc(O)c(O)c1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone?
The InChIKey is JFQWQOPBMBQLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O3/c14-9-3-1-7(5-10(9)15)13(18)8-2-4-11(16)12(17)6-8/h1-6,16-17H.
What are the key properties of (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone?
(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone has a molecular weight of 250.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 117000378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).