(4-methyl-3,5-dinitrophenyl)-phenylmethanone

C14H10N2O5 — CID 15084102

IUPAC(4-methyl-3,5-dinitrophenyl)-phenylmethanone
SMILESCc1c([N+](=O)[O-])cc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10N2O5/c1-9-12(15(18)19)7-11(8-13(9)16(20)21)14(17)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAZJAYNNBSXWEEB-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.04
Rot. Bonds4

About (4-methyl-3,5-dinitrophenyl)-phenylmethanone

(4-methyl-3,5-dinitrophenyl)-phenylmethanone (PubChem CID 15084102) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is (4-methyl-3,5-dinitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-3,5-dinitrophenyl)-phenylmethanone
PubChem CID15084102
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name(4-methyl-3,5-dinitrophenyl)-phenylmethanone
SMILESCc1c([N+](=O)[O-])cc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10N2O5/c1-9-12(15(18)19)7-11(8-13(9)16(20)21)14(17)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAZJAYNNBSXWEEB-UHFFFAOYSA-N
XLogP3.04
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3,5-dimethyl-4-nitrophenyl)-phenylmethanone
CID 13265343
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
(3-amino-4-nitrophenyl)-phenylmethanone
CID 4017647
arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone
CID 160665617
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
(3-amino-4,5-dimethoxyphenyl)-phenylmethanone;(3,4-dimethoxy-5-nitrophenyl)-phenylmethanone
CID 159399191
2-(4-benzoyl-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168610452
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone
CID 163843120
(3-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203764
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,5-dinitrophenyl)-phenylmethanone?
The IUPAC name of (4-methyl-3,5-dinitrophenyl)-phenylmethanone (CID 15084102) is (4-methyl-3,5-dinitrophenyl)-phenylmethanone.
What is the SMILES notation for (4-methyl-3,5-dinitrophenyl)-phenylmethanone?
The canonical SMILES for (4-methyl-3,5-dinitrophenyl)-phenylmethanone is Cc1c([N+](=O)[O-])cc(C(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of (4-methyl-3,5-dinitrophenyl)-phenylmethanone?
The InChIKey is AZJAYNNBSXWEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c1-9-12(15(18)19)7-11(8-13(9)16(20)21)14(17)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (4-methyl-3,5-dinitrophenyl)-phenylmethanone?
(4-methyl-3,5-dinitrophenyl)-phenylmethanone has a molecular weight of 286.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,5-dinitrophenyl)-phenylmethanone is sourced from PubChem (CID 15084102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).