2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol

C23H17NO3 — CID 158347759

IUPAC2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol
SMILESCc1c(-c2c(-c3ccccc3O)cccc2[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C23H17NO3/c1-15-17-8-3-2-7-16(17)13-14-18(15)23-20(10-6-11-21(23)24(26)27)19-9-4-5-12-22(19)25/h2-14,25H,1H3
InChIKeyRJXXMJKVTHUILR-UHFFFAOYSA-N
MW355.39 g/mol
LogP6.10
Rot. Bonds3

About 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol

2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol (PubChem CID 158347759) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol.

Molecular Properties

Compound Name2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol
PubChem CID158347759
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol
SMILESCc1c(-c2c(-c3ccccc3O)cccc2[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C23H17NO3/c1-15-17-8-3-2-7-16(17)13-14-18(15)23-20(10-6-11-21(23)24(26)27)19-9-4-5-12-22(19)25/h2-14,25H,1H3
InChIKeyRJXXMJKVTHUILR-UHFFFAOYSA-N
XLogP6.10
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 56.10
H-Bond Donors ≤ 51
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-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol 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-nitronaphthalene;hydrate
CID 174470741
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
2-(2-nitrophenyl)naphthalen-1-amine
CID 91493820
4-nitrophenanthrene
CID 139058403
8-(2-fluoro-6-nitrophenyl)naphthalen-1-ol
CID 162462407
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
3-nitro-2-(2-propan-2-ylphenyl)phenol
CID 150628369
2-(2-nitrophenyl)naphthalene-1-carbaldehyde
CID 10778882
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
formonitrile;1-nitronaphthalene
CID 174387830
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
methanol;2-nitrophenol
CID 157303764

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol?
The IUPAC name of 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol (CID 158347759) is 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol.
What is the SMILES notation for 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol?
The canonical SMILES for 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol is Cc1c(-c2c(-c3ccccc3O)cccc2[N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol?
The InChIKey is RJXXMJKVTHUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-15-17-8-3-2-7-16(17)13-14-18(15)23-20(10-6-11-21(23)24(26)27)19-9-4-5-12-22(19)25/h2-14,25H,1H3.
What are the key properties of 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol?
2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol has a molecular weight of 355.39 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylnaphthalen-2-yl)-3-nitrophenyl]phenol is sourced from PubChem (CID 158347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).