2-(2-acetylphenyl)-5-methoxybenzaldehyde

C16H14O3 — CID 42645450

IUPAC2-(2-acetylphenyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-c2ccccc2C(C)=O)c(C=O)c1
InChIInChI=1S/C16H14O3/c1-11(18)14-5-3-4-6-16(14)15-8-7-13(19-2)9-12(15)10-17/h3-10H,1-2H3
InChIKeyTVMRXPPKDXBWPA-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.38
Rot. Bonds4

About 2-(2-acetylphenyl)-5-methoxybenzaldehyde

2-(2-acetylphenyl)-5-methoxybenzaldehyde (PubChem CID 42645450) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2-acetylphenyl)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-acetylphenyl)-5-methoxybenzaldehyde
PubChem CID42645450
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-(2-acetylphenyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-c2ccccc2C(C)=O)c(C=O)c1
InChIInChI=1S/C16H14O3/c1-11(18)14-5-3-4-6-16(14)15-8-7-13(19-2)9-12(15)10-17/h3-10H,1-2H3
InChIKeyTVMRXPPKDXBWPA-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

2-(2-acetylphenyl)-4-methoxybenzaldehyde
CID 42645678
2-(2-acetyl-5-methoxyphenyl)benzaldehyde
CID 42645680
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817
methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate
CID 175954957
1-[2-(2-ethenylphenyl)phenyl]ethanone
CID 102225851
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
3-acetyl-2-methoxybenzaldehyde
CID 148697874

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)-5-methoxybenzaldehyde?
The IUPAC name of 2-(2-acetylphenyl)-5-methoxybenzaldehyde (CID 42645450) is 2-(2-acetylphenyl)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-acetylphenyl)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2-acetylphenyl)-5-methoxybenzaldehyde is COc1ccc(-c2ccccc2C(C)=O)c(C=O)c1.
What is the InChIKey of 2-(2-acetylphenyl)-5-methoxybenzaldehyde?
The InChIKey is TVMRXPPKDXBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(18)14-5-3-4-6-16(14)15-8-7-13(19-2)9-12(15)10-17/h3-10H,1-2H3.
What are the key properties of 2-(2-acetylphenyl)-5-methoxybenzaldehyde?
2-(2-acetylphenyl)-5-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 2-(2-acetylphenyl)-5-methoxybenzaldehyde is sourced from PubChem (CID 42645450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).