3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde

C17H16O5 — CID 140507897

IUPAC3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(C(=O)c2cccc(C=O)c2OC)cc1OC
InChIInChI=1S/C17H16O5/c1-20-14-8-7-11(9-15(14)21-2)16(19)13-6-4-5-12(10-18)17(13)22-3/h4-10H,1-3H3
InChIKeyOQDQEUUANSVXCW-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.76
Rot. Bonds6

About 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde

3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde (PubChem CID 140507897) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
PubChem CID140507897
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(C(=O)c2cccc(C=O)c2OC)cc1OC
InChIInChI=1S/C17H16O5/c1-20-14-8-7-11(9-15(14)21-2)16(19)13-6-4-5-12(10-18)17(13)22-3/h4-10H,1-3H3
InChIKeyOQDQEUUANSVXCW-UHFFFAOYSA-N
XLogP2.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
CID 10825897
3-acetyl-2-methoxybenzaldehyde
CID 148697874
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
(3,4-dimethoxyphenyl)-naphthalen-1-ylmethanone;(Z)-3-(3,4-dimethoxyphenyl)-3-naphthalen-1-ylprop-2-enenitrile
CID 67614321
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone
CID 88904908
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(2-formyl-6-methoxyphenyl) 3-bromo-4-methoxybenzoate
CID 4924691

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde?
The IUPAC name of 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde (CID 140507897) is 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde?
The canonical SMILES for 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde is COc1ccc(C(=O)c2cccc(C=O)c2OC)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde?
The InChIKey is OQDQEUUANSVXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-20-14-8-7-11(9-15(14)21-2)16(19)13-6-4-5-12(10-18)17(13)22-3/h4-10H,1-3H3.
What are the key properties of 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde?
3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde has a molecular weight of 300.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 140507897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).