1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone

C14H11FO3 — CID 46881771

IUPAC1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H11FO3/c15-11-4-1-9(2-5-11)7-13(17)10-3-6-12(16)14(18)8-10/h1-6,8,16,18H,7H2
InChIKeyKVYRXZWBRHLYIL-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.66
Rot. Bonds3

About 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone

1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 46881771) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
PubChem CID46881771
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H11FO3/c15-11-4-1-9(2-5-11)7-13(17)10-3-6-12(16)14(18)8-10/h1-6,8,16,18H,7H2
InChIKeyKVYRXZWBRHLYIL-UHFFFAOYSA-N
XLogP2.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.66
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

4-[(E)-C-[(4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,2-diol
CID 135923223
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
2-(4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 24723952
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-[2-(4-fluorophenyl)acetyl]benzaldehyde
CID 82117645
1-(3,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 57446925
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
1-(3,4-dihydroxyphenyl)-2-sulfanylethanone
CID 168916291

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone (CID 46881771) is 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1ccc(O)c(O)c1.
What is the InChIKey of 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is KVYRXZWBRHLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-11-4-1-9(2-5-11)7-13(17)10-3-6-12(16)14(18)8-10/h1-6,8,16,18H,7H2.
What are the key properties of 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone?
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 246.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 46881771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).