2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde

C17H10Cl2O — CID 89391837

IUPAC2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)ccc2Cl)ccc2ccccc12
InChIInChI=1S/C17H10Cl2O/c18-12-6-8-17(19)15(9-12)14-7-5-11-3-1-2-4-13(11)16(14)10-20/h1-10H
InChIKeyIYEZXBDFDHKLJW-UHFFFAOYSA-N
MW301.17 g/mol
LogP5.63
Rot. Bonds2

About 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde

2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde (PubChem CID 89391837) has the molecular formula C17H10Cl2O and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
PubChem CID89391837
Molecular FormulaC17H10Cl2O
Molecular Weight301.17 g/mol
Exact Mass300.01
IUPAC Name2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)ccc2Cl)ccc2ccccc12
InChIInChI=1S/C17H10Cl2O/c18-12-6-8-17(19)15(9-12)14-7-5-11-3-1-2-4-13(11)16(14)10-20/h1-10H
InChIKeyIYEZXBDFDHKLJW-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.17
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde 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 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde (CID 89391837) is 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde is O=Cc1c(-c2cc(Cl)ccc2Cl)ccc2ccccc12.
What is the InChIKey of 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde?
The InChIKey is IYEZXBDFDHKLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O/c18-12-6-8-17(19)15(9-12)14-7-5-11-3-1-2-4-13(11)16(14)10-20/h1-10H.
What are the key properties of 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde?
2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde has a molecular weight of 301.17 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 89391837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).