diphenylmethanone;1-methyl-4-nitrobenzene

C20H17NO3 — CID 160968328

IUPACdiphenylmethanone;1-methyl-4-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C7H7NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)8(9)10/h1-10H;2-5H,1H3
InChIKeySXXMVNYOHTVCNV-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.82
Rot. Bonds3

About diphenylmethanone;1-methyl-4-nitrobenzene

diphenylmethanone;1-methyl-4-nitrobenzene (PubChem CID 160968328) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is diphenylmethanone;1-methyl-4-nitrobenzene.

Molecular Properties

Compound Namediphenylmethanone;1-methyl-4-nitrobenzene
PubChem CID160968328
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namediphenylmethanone;1-methyl-4-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C7H7NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)8(9)10/h1-10H;2-5H,1H3
InChIKeySXXMVNYOHTVCNV-UHFFFAOYSA-N
XLogP4.82
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
2-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-diphenylbutane-1,4-dione
CID 122386072
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
2-(4-methylbenzoyl)-3-(4-nitrobenzoyl)naphthalene-1,4-dione
CID 18785316
carbamodithioic acid;(4-nitrophenyl)-phenylmethanone
CID 174955967
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
benzenethiol;1-methyl-4-nitrobenzene
CID 159323045

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;1-methyl-4-nitrobenzene?
The IUPAC name of diphenylmethanone;1-methyl-4-nitrobenzene (CID 160968328) is diphenylmethanone;1-methyl-4-nitrobenzene.
What is the SMILES notation for diphenylmethanone;1-methyl-4-nitrobenzene?
The canonical SMILES for diphenylmethanone;1-methyl-4-nitrobenzene is Cc1ccc([N+](=O)[O-])cc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;1-methyl-4-nitrobenzene?
The InChIKey is SXXMVNYOHTVCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C7H7NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)8(9)10/h1-10H;2-5H,1H3.
What are the key properties of diphenylmethanone;1-methyl-4-nitrobenzene?
diphenylmethanone;1-methyl-4-nitrobenzene has a molecular weight of 319.36 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;1-methyl-4-nitrobenzene is sourced from PubChem (CID 160968328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).