(2-cyclohexyl-4-nitrophenyl)-phenylmethanone

C19H19NO3 — CID 151612232

IUPAC(2-cyclohexyl-4-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1C1CCCCC1
InChIInChI=1S/C19H19NO3/c21-19(15-9-5-2-6-10-15)17-12-11-16(20(22)23)13-18(17)14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2
InChIKeyQMSXJVIQYFXAQE-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.87
Rot. Bonds4

About (2-cyclohexyl-4-nitrophenyl)-phenylmethanone

(2-cyclohexyl-4-nitrophenyl)-phenylmethanone (PubChem CID 151612232) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2-cyclohexyl-4-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-cyclohexyl-4-nitrophenyl)-phenylmethanone
PubChem CID151612232
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2-cyclohexyl-4-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1C1CCCCC1
InChIInChI=1S/C19H19NO3/c21-19(15-9-5-2-6-10-15)17-12-11-16(20(22)23)13-18(17)14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2
InChIKeyQMSXJVIQYFXAQE-UHFFFAOYSA-N
XLogP4.87
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.87
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'}

Analyze (2-cyclohexyl-4-nitrophenyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
2-cyclopentyl-4-nitroaniline
CID 68656772
bis(2-benzoyl-5-nitrobenzaldehyde);oxalic acid
CID 174955063
methyl 2-cyclopropyl-4-nitrobenzoate
CID 71252214
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
CID 174903264
[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
CID 168528552
2-cyclopropyl-4-nitrophenol
CID 58858109
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
2-(2-benzoyl-5-nitrophenyl)ethanesulfinate
CID 174949625

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-nitrophenyl)-phenylmethanone?
The IUPAC name of (2-cyclohexyl-4-nitrophenyl)-phenylmethanone (CID 151612232) is (2-cyclohexyl-4-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (2-cyclohexyl-4-nitrophenyl)-phenylmethanone?
The canonical SMILES for (2-cyclohexyl-4-nitrophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-4-nitrophenyl)-phenylmethanone?
The InChIKey is QMSXJVIQYFXAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-19(15-9-5-2-6-10-15)17-12-11-16(20(22)23)13-18(17)14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2.
What are the key properties of (2-cyclohexyl-4-nitrophenyl)-phenylmethanone?
(2-cyclohexyl-4-nitrophenyl)-phenylmethanone has a molecular weight of 309.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 151612232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).