4-(4-hydroxy-3-nitrophenyl)benzaldehyde

C13H9NO4 — CID 53221610

IUPAC4-(4-hydroxy-3-nitrophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C13H9NO4/c15-8-9-1-3-10(4-2-9)11-5-6-13(16)12(7-11)14(17)18/h1-8,16H
InChIKeyHZGRPYSMJMZRDG-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.78
Rot. Bonds3

About 4-(4-hydroxy-3-nitrophenyl)benzaldehyde

4-(4-hydroxy-3-nitrophenyl)benzaldehyde (PubChem CID 53221610) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-(4-hydroxy-3-nitrophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-hydroxy-3-nitrophenyl)benzaldehyde
PubChem CID53221610
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name4-(4-hydroxy-3-nitrophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C13H9NO4/c15-8-9-1-3-10(4-2-9)11-5-6-13(16)12(7-11)14(17)18/h1-8,16H
InChIKeyHZGRPYSMJMZRDG-UHFFFAOYSA-N
XLogP2.78
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

4-hydroxy-3-nitrobenzaldehyde
CID 18169
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
2-nitro-4-phenylphenol
CID 13447
ethane;2-nitro-4-phenylphenol
CID 142062484
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
2-nitro-4-[(E)-prop-1-enyl]phenol
CID 163947820
azane;2,4-dinitrophenol;hydrate
CID 174664401
2-chloro-5-(4-hydroxy-3-nitrophenyl)benzonitrile
CID 53221678

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-nitrophenyl)benzaldehyde?
The IUPAC name of 4-(4-hydroxy-3-nitrophenyl)benzaldehyde (CID 53221610) is 4-(4-hydroxy-3-nitrophenyl)benzaldehyde.
What is the SMILES notation for 4-(4-hydroxy-3-nitrophenyl)benzaldehyde?
The canonical SMILES for 4-(4-hydroxy-3-nitrophenyl)benzaldehyde is O=Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(4-hydroxy-3-nitrophenyl)benzaldehyde?
The InChIKey is HZGRPYSMJMZRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-8-9-1-3-10(4-2-9)11-5-6-13(16)12(7-11)14(17)18/h1-8,16H.
What are the key properties of 4-(4-hydroxy-3-nitrophenyl)benzaldehyde?
4-(4-hydroxy-3-nitrophenyl)benzaldehyde has a molecular weight of 243.22 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-nitrophenyl)benzaldehyde is sourced from PubChem (CID 53221610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).