2-(2-acetylphenyl)-4-methoxybenzaldehyde

C16H14O3 — CID 42645678

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

About 2-(2-acetylphenyl)-4-methoxybenzaldehyde

2-(2-acetylphenyl)-4-methoxybenzaldehyde (PubChem CID 42645678) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2-acetylphenyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-acetylphenyl)-4-methoxybenzaldehyde
PubChem CID42645678
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-(2-acetylphenyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(-c2ccccc2C(C)=O)c1
InChIInChI=1S/C16H14O3/c1-11(18)14-5-3-4-6-15(14)16-9-13(19-2)8-7-12(16)10-17/h3-10H,1-2H3
InChIKeyNFLKMJBHNSZIJV-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)-5-methoxybenzaldehyde
CID 42645450
2-(2-acetyl-5-methoxyphenyl)benzaldehyde
CID 42645680
3-acetyl-2-methoxybenzaldehyde
CID 148697874
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
CID 117297040
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
4-acetylnaphthalene-1-carbaldehyde
CID 59092057
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
acetic acid;(2-formyl-5-methoxyphenyl)methyl hydrogen sulfate
CID 88528450
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)-4-methoxybenzaldehyde?
The IUPAC name of 2-(2-acetylphenyl)-4-methoxybenzaldehyde (CID 42645678) is 2-(2-acetylphenyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-acetylphenyl)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(2-acetylphenyl)-4-methoxybenzaldehyde is COc1ccc(C=O)c(-c2ccccc2C(C)=O)c1.
What is the InChIKey of 2-(2-acetylphenyl)-4-methoxybenzaldehyde?
The InChIKey is NFLKMJBHNSZIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(18)14-5-3-4-6-15(14)16-9-13(19-2)8-7-12(16)10-17/h3-10H,1-2H3.
What are the key properties of 2-(2-acetylphenyl)-4-methoxybenzaldehyde?
2-(2-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 2-(2-acetylphenyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 42645678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).