1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone

C14H10FNO5 — CID 142064486

IUPAC1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)c1cc(O)c(F)cc1O
InChIInChI=1S/C14H10FNO5/c15-11-7-13(18)10(6-14(11)19)12(17)5-8-1-3-9(4-2-8)16(20)21/h1-4,6-7,18-19H,5H2
InChIKeyJHUOMBUQTXKPEL-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone

1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone (PubChem CID 142064486) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone
PubChem CID142064486
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)c1cc(O)c(F)cc1O
InChIInChI=1S/C14H10FNO5/c15-11-7-13(18)10(6-14(11)19)12(17)5-8-1-3-9(4-2-8)16(20)21/h1-4,6-7,18-19H,5H2
InChIKeyJHUOMBUQTXKPEL-UHFFFAOYSA-N
XLogP2.57
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
CID 12844789
potassium 2-(4-nitrophenyl)acetate
CID 15261201
methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate
CID 67367377
1-(2-bromo-5-methylphenyl)-2-(4-nitrophenyl)ethanone
CID 81110987
1-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
1-(3,5-dibromophenyl)-2-(4-nitrophenyl)ethanone
CID 107980624
2-(4-nitrophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 61056907
2-fluoro-4-[(4-nitroanilino)methyl]phenol
CID 83325465
methyl 2-[2-(4-nitrophenyl)acetyl]benzoate
CID 71393749
nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium
CID 58164995
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone (CID 142064486) is 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone is O=C(Cc1ccc([N+](=O)[O-])cc1)c1cc(O)c(F)cc1O.
What is the InChIKey of 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone?
The InChIKey is JHUOMBUQTXKPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c15-11-7-13(18)10(6-14(11)19)12(17)5-8-1-3-9(4-2-8)16(20)21/h1-4,6-7,18-19H,5H2.
What are the key properties of 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone?
1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone has a molecular weight of 291.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,5-dihydroxyphenyl)-2-(4-nitrophenyl)ethanone is sourced from PubChem (CID 142064486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).