2-nitroso-4-phenylbenzaldehyde

C13H9NO2 — CID 174907087

IUPAC2-nitroso-4-phenylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)cc1N=O
InChIInChI=1S/C13H9NO2/c15-9-12-7-6-11(8-13(12)14-16)10-4-2-1-3-5-10/h1-9H
InChIKeyHCSFMSNICQXKCW-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.56
Rot. Bonds3

About 2-nitroso-4-phenylbenzaldehyde

2-nitroso-4-phenylbenzaldehyde (PubChem CID 174907087) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-nitroso-4-phenylbenzaldehyde.

Molecular Properties

Compound Name2-nitroso-4-phenylbenzaldehyde
PubChem CID174907087
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2-nitroso-4-phenylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)cc1N=O
InChIInChI=1S/C13H9NO2/c15-9-12-7-6-11(8-13(12)14-16)10-4-2-1-3-5-10/h1-9H
InChIKeyHCSFMSNICQXKCW-UHFFFAOYSA-N
XLogP3.56
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-phenylbenzaldehyde
CID 87968483
(2-formyl-5-phenylphenyl)boronic acid
CID 170987135
2-(bromomethyl)-4-phenylbenzaldehyde
CID 89003019
4-phenyl-2-propan-2-ylbenzaldehyde
CID 14895374
2-naphthalen-2-yl-4-phenylbenzaldehyde
CID 152589859
4-formyl-3-nitrosobenzamide
CID 122605736
2-nitroso-4-prop-1-enylbenzaldehyde
CID 123363024
2,5-dihydroxyterephthalaldehyde;4-phenylaniline
CID 175152805
1,1'-biphenyl;methanethioic S-acid
CID 157330643
4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde
CID 86211180
6-nitrosoquinoline-7-carbaldehyde
CID 142887262
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-4-phenylbenzaldehyde?
The IUPAC name of 2-nitroso-4-phenylbenzaldehyde (CID 174907087) is 2-nitroso-4-phenylbenzaldehyde.
What is the SMILES notation for 2-nitroso-4-phenylbenzaldehyde?
The canonical SMILES for 2-nitroso-4-phenylbenzaldehyde is O=Cc1ccc(-c2ccccc2)cc1N=O.
What is the InChIKey of 2-nitroso-4-phenylbenzaldehyde?
The InChIKey is HCSFMSNICQXKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-9-12-7-6-11(8-13(12)14-16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-nitroso-4-phenylbenzaldehyde?
2-nitroso-4-phenylbenzaldehyde has a molecular weight of 211.22 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-4-phenylbenzaldehyde is sourced from PubChem (CID 174907087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).