4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde

C16H16O3 — CID 54912502

IUPAC4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
SMILESCOc1cc(C=O)c(-c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H16O3/c1-11-5-4-6-12(7-11)14-9-16(19-3)15(18-2)8-13(14)10-17/h4-10H,1-3H3
InChIKeyBNFJOLJWBHDWTI-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.49
Rot. Bonds4

About 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde

4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde (PubChem CID 54912502) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
PubChem CID54912502
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
SMILESCOc1cc(C=O)c(-c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H16O3/c1-11-5-4-6-12(7-11)14-9-16(19-3)15(18-2)8-13(14)10-17/h4-10H,1-3H3
InChIKeyBNFJOLJWBHDWTI-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dimethoxy-2-(3-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

5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde
CID 63021641
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde
CID 14939319
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
1-bromo-2-methoxy-4-(3-methylphenyl)benzene
CID 164895138
ethyl (E)-3-[2-[3-formyl-4-(3-methylphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342690
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(3-methylphenyl)benzaldehyde
CID 134110448

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde?
The IUPAC name of 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde (CID 54912502) is 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde.
What is the SMILES notation for 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde?
The canonical SMILES for 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde is COc1cc(C=O)c(-c2cccc(C)c2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde?
The InChIKey is BNFJOLJWBHDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-5-4-6-12(7-11)14-9-16(19-3)15(18-2)8-13(14)10-17/h4-10H,1-3H3.
What are the key properties of 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde?
4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde is sourced from PubChem (CID 54912502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).