4-(2,3-dichlorophenyl)-3-methylbenzaldehyde

C14H10Cl2O — CID 81448115

IUPAC4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2O/c1-9-7-10(8-17)5-6-11(9)12-3-2-4-13(15)14(12)16/h2-8H,1H3
InChIKeyWBNAFLDGSOJXKQ-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.78
Rot. Bonds2

About 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde

4-(2,3-dichlorophenyl)-3-methylbenzaldehyde (PubChem CID 81448115) has the molecular formula C14H10Cl2O and a molecular weight of 265.14 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
PubChem CID81448115
Molecular FormulaC14H10Cl2O
Molecular Weight265.14 g/mol
Exact Mass264.01
IUPAC Name4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2O/c1-9-7-10(8-17)5-6-11(9)12-3-2-4-13(15)14(12)16/h2-8H,1H3
InChIKeyWBNAFLDGSOJXKQ-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde 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 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde?
The IUPAC name of 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde (CID 81448115) is 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde?
The InChIKey is WBNAFLDGSOJXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O/c1-9-7-10(8-17)5-6-11(9)12-3-2-4-13(15)14(12)16/h2-8H,1H3.
What are the key properties of 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde?
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde has a molecular weight of 265.14 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 81448115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).