1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone

C14H11NO4 — CID 11747254

IUPAC1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])cc(-c2ccccc2)c1O
InChIInChI=1S/C14H11NO4/c1-9(16)12-7-11(15(18)19)8-13(14(12)17)10-5-3-2-4-6-10/h2-8,17H,1H3
InChIKeyFIEHAWHJXADZLH-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone

1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone (PubChem CID 11747254) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
PubChem CID11747254
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])cc(-c2ccccc2)c1O
InChIInChI=1S/C14H11NO4/c1-9(16)12-7-11(15(18)19)8-13(14(12)17)10-5-3-2-4-6-10/h2-8,17H,1H3
InChIKeyFIEHAWHJXADZLH-UHFFFAOYSA-N
XLogP3.17
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-nitro-3-phenylphenyl)ethanone
CID 67871724
5-nitro-2-phenylbenzoyl chloride
CID 21406523
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
1-(1-hydroxy-4-nitronaphthalen-2-yl)ethanone
CID 121011643
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
[(2-methylpropan-2-yl)oxycarbonylamino] 2-methyl-5-nitro-3-phenylbenzoate
CID 91195538
4-(5-nitro-2-phenylphenyl)phthalic acid
CID 175116891
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
5-nitro-7-phenylindole-1-carboxylic acid
CID 141402933
3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
CID 57352159
2-hydroxy-3-methyl-5-nitrobenzoic acid
CID 12571275
2,4,6-trinitrophenol;triphenyl(sulfanylidene)-λ5-phosphane
CID 87917711

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone (CID 11747254) is 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone is CC(=O)c1cc([N+](=O)[O-])cc(-c2ccccc2)c1O.
What is the InChIKey of 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone?
The InChIKey is FIEHAWHJXADZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-9(16)12-7-11(15(18)19)8-13(14(12)17)10-5-3-2-4-6-10/h2-8,17H,1H3.
What are the key properties of 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone?
1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone has a molecular weight of 257.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone is sourced from PubChem (CID 11747254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).