[4-(diazomethyl)phenyl]-phenylmethanone

C14H10N2O — CID 53231721

IUPAC[4-(diazomethyl)phenyl]-phenylmethanone
SMILES[N-]=[N+]=Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10N2O/c15-16-10-11-6-8-13(9-7-11)14(17)12-4-2-1-3-5-12/h1-10H
InChIKeyOQPPYNINSJNJSW-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.57
Rot. Bonds3

About [4-(diazomethyl)phenyl]-phenylmethanone

[4-(diazomethyl)phenyl]-phenylmethanone (PubChem CID 53231721) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is [4-(diazomethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(diazomethyl)phenyl]-phenylmethanone
PubChem CID53231721
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name[4-(diazomethyl)phenyl]-phenylmethanone
SMILES[N-]=[N+]=Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10N2O/c15-16-10-11-6-8-13(9-7-11)14(17)12-4-2-1-3-5-12/h1-10H
InChIKeyOQPPYNINSJNJSW-UHFFFAOYSA-N
XLogP2.57
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone
CID 3102
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
(1E,4E)-1,5-bis(4-benzoylphenyl)penta-1,4-dien-3-one
CID 101166440
diphenylmethanone;hydron;fluoride
CID 21465824
diphenylmethanone;ethane
CID 158014879
magnesium;diphenylmethanone;hydride
CID 175114327
phenyl-(4-phenylphenyl)methanone
CID 155775877
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243

Frequently Asked Questions

What is the IUPAC name of [4-(diazomethyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(diazomethyl)phenyl]-phenylmethanone (CID 53231721) is [4-(diazomethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(diazomethyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(diazomethyl)phenyl]-phenylmethanone is [N-]=[N+]=Cc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(diazomethyl)phenyl]-phenylmethanone?
The InChIKey is OQPPYNINSJNJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c15-16-10-11-6-8-13(9-7-11)14(17)12-4-2-1-3-5-12/h1-10H.
What are the key properties of [4-(diazomethyl)phenyl]-phenylmethanone?
[4-(diazomethyl)phenyl]-phenylmethanone has a molecular weight of 222.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diazomethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 53231721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).