2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde

C16H15ClO3 — CID 89497006

IUPAC2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
SMILESCOc1ccc(OC)c(C(C=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-19-13-7-8-16(20-2)14(9-13)15(10-18)11-3-5-12(17)6-4-11/h3-10,15H,1-2H3
InChIKeyIVKFBBQYAMLAOH-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde

2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde (PubChem CID 89497006) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
PubChem CID89497006
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
SMILESCOc1ccc(OC)c(C(C=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-19-13-7-8-16(20-2)14(9-13)15(10-18)11-3-5-12(17)6-4-11/h3-10,15H,1-2H3
InChIKeyIVKFBBQYAMLAOH-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde 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

2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde
CID 89496872
2-(2,5-dimethoxyphenyl)propanal
CID 596766
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde
CID 123461274
2-(5-bromo-2,4-difluorophenyl)-2-(4-methoxyphenyl)acetaldehyde
CID 144744868
2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
CID 159871714
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde
CID 83835537
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde (CID 89497006) is 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde is COc1ccc(OC)c(C(C=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde?
The InChIKey is IVKFBBQYAMLAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-13-7-8-16(20-2)14(9-13)15(10-18)11-3-5-12(17)6-4-11/h3-10,15H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde?
2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde has a molecular weight of 290.75 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde is sourced from PubChem (CID 89497006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).