4-(4-methoxybenzoyl)benzaldehyde

C15H12O3 — CID 56593020

IUPAC4-(4-methoxybenzoyl)benzaldehyde
SMILESCOc1ccc(C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H12O3/c1-18-14-8-6-13(7-9-14)15(17)12-4-2-11(10-16)3-5-12/h2-10H,1H3
InChIKeyTYEBXIMAFOSMNI-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.74
Rot. Bonds4

About 4-(4-methoxybenzoyl)benzaldehyde

4-(4-methoxybenzoyl)benzaldehyde (PubChem CID 56593020) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)benzaldehyde
PubChem CID56593020
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name4-(4-methoxybenzoyl)benzaldehyde
SMILESCOc1ccc(C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H12O3/c1-18-14-8-6-13(7-9-14)15(17)12-4-2-11(10-16)3-5-12/h2-10H,1H3
InChIKeyTYEBXIMAFOSMNI-UHFFFAOYSA-N
XLogP2.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130305051
4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde
CID 145003419
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one
CID 123381440

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)benzaldehyde?
The IUPAC name of 4-(4-methoxybenzoyl)benzaldehyde (CID 56593020) is 4-(4-methoxybenzoyl)benzaldehyde.
What is the SMILES notation for 4-(4-methoxybenzoyl)benzaldehyde?
The canonical SMILES for 4-(4-methoxybenzoyl)benzaldehyde is COc1ccc(C(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)benzaldehyde?
The InChIKey is TYEBXIMAFOSMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-18-14-8-6-13(7-9-14)15(17)12-4-2-11(10-16)3-5-12/h2-10H,1H3.
What are the key properties of 4-(4-methoxybenzoyl)benzaldehyde?
4-(4-methoxybenzoyl)benzaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)benzaldehyde is sourced from PubChem (CID 56593020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).