2-methoxy-4-(2-methoxybenzoyl)benzaldehyde

C16H14O4 — CID 10825897

IUPAC2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
SMILESCOc1cc(C(=O)c2ccccc2OC)ccc1C=O
InChIInChI=1S/C16H14O4/c1-19-14-6-4-3-5-13(14)16(18)11-7-8-12(10-17)15(9-11)20-2/h3-10H,1-2H3
InChIKeyNIOGUSGVKYEDEQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.75
Rot. Bonds5

About 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde

2-methoxy-4-(2-methoxybenzoyl)benzaldehyde (PubChem CID 10825897) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
PubChem CID10825897
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
SMILESCOc1cc(C(=O)c2ccccc2OC)ccc1C=O
InChIInChI=1S/C16H14O4/c1-19-14-6-4-3-5-13(14)16(18)11-7-8-12(10-17)15(9-11)20-2/h3-10H,1-2H3
InChIKeyNIOGUSGVKYEDEQ-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
CID 140507897
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
tert-butyl 4-formyl-3-methoxybenzoate
CID 10513965
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
9H-carbazol-3-yl-(2-methoxyphenyl)methanone
CID 175474273
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 114962795
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde?
The IUPAC name of 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde (CID 10825897) is 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde.
What is the SMILES notation for 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde?
The canonical SMILES for 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde is COc1cc(C(=O)c2ccccc2OC)ccc1C=O.
What is the InChIKey of 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde?
The InChIKey is NIOGUSGVKYEDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-14-6-4-3-5-13(14)16(18)11-7-8-12(10-17)15(9-11)20-2/h3-10H,1-2H3.
What are the key properties of 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde?
2-methoxy-4-(2-methoxybenzoyl)benzaldehyde has a molecular weight of 270.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methoxybenzoyl)benzaldehyde is sourced from PubChem (CID 10825897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).