2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde

C17H16O4 — CID 140507871

IUPAC2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde
SMILESCOc1cc(OC)cc(C(=O)c2c(C)cccc2C=O)c1
InChIInChI=1S/C17H16O4/c1-11-5-4-6-12(10-18)16(11)17(19)13-7-14(20-2)9-15(8-13)21-3/h4-10H,1-3H3
InChIKeyLGSGRUPZUYZJJX-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.06
Rot. Bonds5

About 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde

2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde (PubChem CID 140507871) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde
PubChem CID140507871
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde
SMILESCOc1cc(OC)cc(C(=O)c2c(C)cccc2C=O)c1
InChIInChI=1S/C17H16O4/c1-11-5-4-6-12(10-18)16(11)17(19)13-7-14(20-2)9-15(8-13)21-3/h4-10H,1-3H3
InChIKeyLGSGRUPZUYZJJX-UHFFFAOYSA-N
XLogP3.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethoxybenzoyl)-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

Related Compounds

(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
4-chloro-2-(3,5-dimethoxybenzoyl)-3-(trifluoromethyl)benzaldehyde
CID 140507909
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
2-acetyl-5-methoxy-3-methylbenzaldehyde
CID 171021754
3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9496126
methyl 2-formyl-6-methoxybenzoate
CID 12730360
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
CID 24723154

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde?
The IUPAC name of 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde (CID 140507871) is 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde.
What is the SMILES notation for 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde?
The canonical SMILES for 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde is COc1cc(OC)cc(C(=O)c2c(C)cccc2C=O)c1.
What is the InChIKey of 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde?
The InChIKey is LGSGRUPZUYZJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-11-5-4-6-12(10-18)16(11)17(19)13-7-14(20-2)9-15(8-13)21-3/h4-10H,1-3H3.
What are the key properties of 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde?
2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde has a molecular weight of 284.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde is sourced from PubChem (CID 140507871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).