1-methyl-4-(2-nitrophenyl)naphthalene

C17H13NO2 — CID 66585246

IUPAC1-methyl-4-(2-nitrophenyl)naphthalene
SMILESCc1ccc(-c2ccccc2[N+](=O)[O-])c2ccccc12
InChIInChI=1S/C17H13NO2/c1-12-10-11-15(14-7-3-2-6-13(12)14)16-8-4-5-9-17(16)18(19)20/h2-11H,1H3
InChIKeyXXMRWQDRMMKGKH-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.72
Rot. Bonds2

About 1-methyl-4-(2-nitrophenyl)naphthalene

1-methyl-4-(2-nitrophenyl)naphthalene (PubChem CID 66585246) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-4-(2-nitrophenyl)naphthalene.

Molecular Properties

Compound Name1-methyl-4-(2-nitrophenyl)naphthalene
PubChem CID66585246
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-methyl-4-(2-nitrophenyl)naphthalene
SMILESCc1ccc(-c2ccccc2[N+](=O)[O-])c2ccccc12
InChIInChI=1S/C17H13NO2/c1-12-10-11-15(14-7-3-2-6-13(12)14)16-8-4-5-9-17(16)18(19)20/h2-11H,1H3
InChIKeyXXMRWQDRMMKGKH-UHFFFAOYSA-N
XLogP4.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-(2-nitrophenyl)naphthalene 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

1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
2,4-dimethyl-8-(2-nitrophenyl)quinoline
CID 10891176
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
2-(2-nitrophenyl)naphthalen-1-amine
CID 91493820
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
2-(2-nitrophenyl)naphthalene-1-carbaldehyde
CID 10778882
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-nitrophenyl)naphthalene?
The IUPAC name of 1-methyl-4-(2-nitrophenyl)naphthalene (CID 66585246) is 1-methyl-4-(2-nitrophenyl)naphthalene.
What is the SMILES notation for 1-methyl-4-(2-nitrophenyl)naphthalene?
The canonical SMILES for 1-methyl-4-(2-nitrophenyl)naphthalene is Cc1ccc(-c2ccccc2[N+](=O)[O-])c2ccccc12.
What is the InChIKey of 1-methyl-4-(2-nitrophenyl)naphthalene?
The InChIKey is XXMRWQDRMMKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-10-11-15(14-7-3-2-6-13(12)14)16-8-4-5-9-17(16)18(19)20/h2-11H,1H3.
What are the key properties of 1-methyl-4-(2-nitrophenyl)naphthalene?
1-methyl-4-(2-nitrophenyl)naphthalene has a molecular weight of 263.30 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-nitrophenyl)naphthalene is sourced from PubChem (CID 66585246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).