2-chloro-6-(4-methylphenyl)benzaldehyde

C14H11ClO — CID 101493869

IUPAC2-chloro-6-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(Cl)c2C=O)cc1
InChIInChI=1S/C14H11ClO/c1-10-5-7-11(8-6-10)12-3-2-4-14(15)13(12)9-16/h2-9H,1H3
InChIKeyLUGPLHQFGLKGKK-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.13
Rot. Bonds2

About 2-chloro-6-(4-methylphenyl)benzaldehyde

2-chloro-6-(4-methylphenyl)benzaldehyde (PubChem CID 101493869) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-chloro-6-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(4-methylphenyl)benzaldehyde
PubChem CID101493869
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name2-chloro-6-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(Cl)c2C=O)cc1
InChIInChI=1S/C14H11ClO/c1-10-5-7-11(8-6-10)12-3-2-4-14(15)13(12)9-16/h2-9H,1H3
InChIKeyLUGPLHQFGLKGKK-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(4-methylphenyl)benzaldehyde 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-Chloro-2-methylanthraquinone
CID 8509
10-Chloro-9-anthraldehyde
CID 82703
(2-Chlorophenyl)(4-methylphenyl)methanone
CID 22237
1,8-Dichloro-10H-anthracen-9-one
CID 424114
3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde
CID 1392533
1-Chloroanthrone
CID 408811
2'-Chloro-[1,1'-biphenyl]-2-carbaldehyde
CID 1392375
3'-Chlorobiphenyl-2-carbaldehyde
CID 1392515
4'-Chlorobiphenyl-2-carbaldehyde
CID 1393689
3-(4-Chlorophenyl)benzaldehyde
CID 1394238
4-(3,5-Dichlorophenyl)benzaldehyde
CID 2758154
4'-Chloro[1,1'-biphenyl]-4-carbaldehyde
CID 592570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylphenyl)benzaldehyde?
The IUPAC name of 2-chloro-6-(4-methylphenyl)benzaldehyde (CID 101493869) is 2-chloro-6-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-chloro-6-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 2-chloro-6-(4-methylphenyl)benzaldehyde is Cc1ccc(-c2cccc(Cl)c2C=O)cc1.
What is the InChIKey of 2-chloro-6-(4-methylphenyl)benzaldehyde?
The InChIKey is LUGPLHQFGLKGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-10-5-7-11(8-6-10)12-3-2-4-14(15)13(12)9-16/h2-9H,1H3.
What are the key properties of 2-chloro-6-(4-methylphenyl)benzaldehyde?
2-chloro-6-(4-methylphenyl)benzaldehyde has a molecular weight of 230.69 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 101493869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).