3-(4-acetylphenyl)-4-methoxybenzaldehyde

C16H14O3 — CID 12987456

IUPAC3-(4-acetylphenyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H14O3/c1-11(18)13-4-6-14(7-5-13)15-9-12(10-17)3-8-16(15)19-2/h3-10H,1-2H3
InChIKeySGIKUIOYTKJMIL-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.38
Rot. Bonds4

About 3-(4-acetylphenyl)-4-methoxybenzaldehyde

3-(4-acetylphenyl)-4-methoxybenzaldehyde (PubChem CID 12987456) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(4-acetylphenyl)-4-methoxybenzaldehyde
PubChem CID12987456
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name3-(4-acetylphenyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H14O3/c1-11(18)13-4-6-14(7-5-13)15-9-12(10-17)3-8-16(15)19-2/h3-10H,1-2H3
InChIKeySGIKUIOYTKJMIL-UHFFFAOYSA-N
XLogP3.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.38
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-3-(4-methylphenyl)benzaldehyde
CID 82038833
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
CID 83663000
4-[2-[2,4,5-tris[2-(4-acetylphenyl)phenyl]phenyl]phenyl]benzaldehyde
CID 59789089
3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxybenzaldehyde
CID 86587844
4-acetyl-3-methoxybenzaldehyde
CID 14123550
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
3-(1H-indol-5-yl)-4-methoxybenzaldehyde
CID 22391514
CID 167405011
CID 167405011
7-acetyl-9-oxofluorene-2-carbaldehyde
CID 145345524
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-4-methoxybenzaldehyde?
The IUPAC name of 3-(4-acetylphenyl)-4-methoxybenzaldehyde (CID 12987456) is 3-(4-acetylphenyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(4-acetylphenyl)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(4-acetylphenyl)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1-c1ccc(C(C)=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-4-methoxybenzaldehyde?
The InChIKey is SGIKUIOYTKJMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(18)13-4-6-14(7-5-13)15-9-12(10-17)3-8-16(15)19-2/h3-10H,1-2H3.
What are the key properties of 3-(4-acetylphenyl)-4-methoxybenzaldehyde?
3-(4-acetylphenyl)-4-methoxybenzaldehyde has a molecular weight of 254.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 12987456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).