4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde

C16H14O3 — CID 23408905

IUPAC4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
SMILESCc1ccc(C(=O)COc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H14O3/c1-12-2-6-14(7-3-12)16(18)11-19-15-8-4-13(10-17)5-9-15/h2-10H,11H2,1H3
InChIKeyVDROFTCLDLEVSZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.07
Rot. Bonds5

About 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde

4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde (PubChem CID 23408905) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
PubChem CID23408905
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
SMILESCc1ccc(C(=O)COc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H14O3/c1-12-2-6-14(7-3-12)16(18)11-19-15-8-4-13(10-17)5-9-15/h2-10H,11H2,1H3
InChIKeyVDROFTCLDLEVSZ-UHFFFAOYSA-N
XLogP3.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.07
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-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde
CID 144750000
2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone
CID 139900510
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
4-methylbenzaldehyde;4-methylbenzoic acid;1,4-xylene
CID 20553533
4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzaldehyde
CID 60625346
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde?
The IUPAC name of 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde (CID 23408905) is 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde is Cc1ccc(C(=O)COc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde?
The InChIKey is VDROFTCLDLEVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-12-2-6-14(7-3-12)16(18)11-19-15-8-4-13(10-17)5-9-15/h2-10H,11H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde?
4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde has a molecular weight of 254.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde is sourced from PubChem (CID 23408905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).