(2-methyl-4-nitrophenyl)-phenylmethanone

C14H11NO3 — CID 12846491

IUPAC(2-methyl-4-nitrophenyl)-phenylmethanone
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO3/c1-10-9-12(15(17)18)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyACRSGXUBJDCLBF-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.13
Rot. Bonds3

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

(2-methyl-4-nitrophenyl)-phenylmethanone (PubChem CID 12846491) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2-methyl-4-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-4-nitrophenyl)-phenylmethanone
PubChem CID12846491
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name(2-methyl-4-nitrophenyl)-phenylmethanone
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO3/c1-10-9-12(15(17)18)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyACRSGXUBJDCLBF-UHFFFAOYSA-N
XLogP3.13
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-nitrophenyl)-phenylmethanone?
The IUPAC name of (2-methyl-4-nitrophenyl)-phenylmethanone (CID 12846491) is (2-methyl-4-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (2-methyl-4-nitrophenyl)-phenylmethanone?
The canonical SMILES for (2-methyl-4-nitrophenyl)-phenylmethanone is Cc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1.
What is the InChIKey of (2-methyl-4-nitrophenyl)-phenylmethanone?
The InChIKey is ACRSGXUBJDCLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-10-9-12(15(17)18)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (2-methyl-4-nitrophenyl)-phenylmethanone?
(2-methyl-4-nitrophenyl)-phenylmethanone has a molecular weight of 241.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 12846491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).