2-(2-acetyl-5-methoxyphenyl)benzaldehyde

C16H14O3 — CID 42645680

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

About 2-(2-acetyl-5-methoxyphenyl)benzaldehyde

2-(2-acetyl-5-methoxyphenyl)benzaldehyde (PubChem CID 42645680) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenyl)benzaldehyde
PubChem CID42645680
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-(2-acetyl-5-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(C(C)=O)c(-c2ccccc2C=O)c1
InChIInChI=1S/C16H14O3/c1-11(18)14-8-7-13(19-2)9-16(14)15-6-4-3-5-12(15)10-17/h3-10H,1-2H3
InChIKeyQWUSOLBLBIKHAA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenyl)benzaldehyde?
The IUPAC name of 2-(2-acetyl-5-methoxyphenyl)benzaldehyde (CID 42645680) is 2-(2-acetyl-5-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenyl)benzaldehyde?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenyl)benzaldehyde is COc1ccc(C(C)=O)c(-c2ccccc2C=O)c1.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenyl)benzaldehyde?
The InChIKey is QWUSOLBLBIKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(18)14-8-7-13(19-2)9-16(14)15-6-4-3-5-12(15)10-17/h3-10H,1-2H3.
What are the key properties of 2-(2-acetyl-5-methoxyphenyl)benzaldehyde?
2-(2-acetyl-5-methoxyphenyl)benzaldehyde 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-acetyl-5-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 42645680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).