1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone

C14H11NO4 — CID 53221641

IUPAC1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11NO4/c1-9(16)10-3-2-4-11(7-10)12-5-6-14(17)13(8-12)15(18)19/h2-8,17H,1H3
InChIKeyCQWMUBAGZDRWOI-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.17
Rot. Bonds3

About 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone

1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone (PubChem CID 53221641) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
PubChem CID53221641
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11NO4/c1-9(16)10-3-2-4-11(7-10)12-5-6-14(17)13(8-12)15(18)19/h2-8,17H,1H3
InChIKeyCQWMUBAGZDRWOI-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

ethane;2-nitro-4-phenylphenol
CID 142062484
2-nitro-4-phenylphenol
CID 13447
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
[4-(4-hydroxy-3-nitrophenyl)phenyl] benzoate
CID 22922925
1-[3-(4-fluoro-3-hydroxyphenyl)phenyl]ethanone
CID 53219389
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone (CID 53221641) is 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone is CC(=O)c1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone?
The InChIKey is CQWMUBAGZDRWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-9(16)10-3-2-4-11(7-10)12-5-6-14(17)13(8-12)15(18)19/h2-8,17H,1H3.
What are the key properties of 1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone?
1-[3-(4-hydroxy-3-nitrophenyl)phenyl]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-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone is sourced from PubChem (CID 53221641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).