3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal

C18H20O3 — CID 174938822

IUPAC3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal
SMILESCOC(OC)(c1ccccc1)C(C=O)c1ccccc1C
InChIInChI=1S/C18H20O3/c1-14-9-7-8-12-16(14)17(13-19)18(20-2,21-3)15-10-5-4-6-11-15/h4-13,17H,1-3H3
InChIKeyJQXKQDZHIJTMRM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.42
Rot. Bonds6

About 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal

3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal (PubChem CID 174938822) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal.

Molecular Properties

Compound Name3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal
PubChem CID174938822
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal
SMILESCOC(OC)(c1ccccc1)C(C=O)c1ccccc1C
InChIInChI=1S/C18H20O3/c1-14-9-7-8-12-16(14)17(13-19)18(20-2,21-3)15-10-5-4-6-11-15/h4-13,17H,1-3H3
InChIKeyJQXKQDZHIJTMRM-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal 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

3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
(2,2-dichloro-1,1-dimethoxyethyl)benzene
CID 11356770
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
2-(2-methylphenyl)-2-sulfanylacetaldehyde
CID 173459115
4,4-dimethyl-2-(2-methylphenyl)pentanal
CID 87081066
acetic acid;(2-methylphenyl)methanediol
CID 71361235
ethyl 2-(2-methylphenyl)-3-oxopropanoate
CID 13330266
tert-butylbenzene;methyl formate
CID 174802474
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one
CID 134955659
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal?
The IUPAC name of 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal (CID 174938822) is 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal.
What is the SMILES notation for 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal?
The canonical SMILES for 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal is COC(OC)(c1ccccc1)C(C=O)c1ccccc1C.
What is the InChIKey of 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal?
The InChIKey is JQXKQDZHIJTMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14-9-7-8-12-16(14)17(13-19)18(20-2,21-3)15-10-5-4-6-11-15/h4-13,17H,1-3H3.
What are the key properties of 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal?
3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal has a molecular weight of 284.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal is sourced from PubChem (CID 174938822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).