1-[(2,3-dichlorophenyl)methyl]naphthalene

C17H12Cl2 — CID 70482363

IUPAC1-[(2,3-dichlorophenyl)methyl]naphthalene
SMILESClc1cccc(Cc2cccc3ccccc23)c1Cl
InChIInChI=1S/C17H12Cl2/c18-16-10-4-8-14(17(16)19)11-13-7-3-6-12-5-1-2-9-15(12)13/h1-10H,11H2
InChIKeyOFJFTBCDWYRKMI-UHFFFAOYSA-N
MW287.19 g/mol
LogP5.74
Rot. Bonds2

About 1-[(2,3-dichlorophenyl)methyl]naphthalene

1-[(2,3-dichlorophenyl)methyl]naphthalene (PubChem CID 70482363) has the molecular formula C17H12Cl2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]naphthalene
PubChem CID70482363
Molecular FormulaC17H12Cl2
Molecular Weight287.19 g/mol
Exact Mass286.03
IUPAC Name1-[(2,3-dichlorophenyl)methyl]naphthalene
SMILESClc1cccc(Cc2cccc3ccccc23)c1Cl
InChIInChI=1S/C17H12Cl2/c18-16-10-4-8-14(17(16)19)11-13-7-3-6-12-5-1-2-9-15(12)13/h1-10H,11H2
InChIKeyOFJFTBCDWYRKMI-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.19
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(2,3-dichlorophenyl)methyl]naphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]naphthalene?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]naphthalene (CID 70482363) is 1-[(2,3-dichlorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]naphthalene?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]naphthalene is Clc1cccc(Cc2cccc3ccccc23)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]naphthalene?
The InChIKey is OFJFTBCDWYRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2/c18-16-10-4-8-14(17(16)19)11-13-7-3-6-12-5-1-2-9-15(12)13/h1-10H,11H2.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]naphthalene?
1-[(2,3-dichlorophenyl)methyl]naphthalene has a molecular weight of 287.19 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]naphthalene is sourced from PubChem (CID 70482363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).