4-(3-ethoxyphenyl)-3-methylbenzaldehyde

C16H16O2 — CID 81448039

IUPAC4-(3-ethoxyphenyl)-3-methylbenzaldehyde
SMILESCCOc1cccc(-c2ccc(C=O)cc2C)c1
InChIInChI=1S/C16H16O2/c1-3-18-15-6-4-5-14(10-15)16-8-7-13(11-17)9-12(16)2/h4-11H,3H2,1-2H3
InChIKeySMMUOFUYMJEFOW-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.87
Rot. Bonds4

About 4-(3-ethoxyphenyl)-3-methylbenzaldehyde

4-(3-ethoxyphenyl)-3-methylbenzaldehyde (PubChem CID 81448039) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-3-methylbenzaldehyde
PubChem CID81448039
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(3-ethoxyphenyl)-3-methylbenzaldehyde
SMILESCCOc1cccc(-c2ccc(C=O)cc2C)c1
InChIInChI=1S/C16H16O2/c1-3-18-15-6-4-5-14(10-15)16-8-7-13(11-17)9-12(16)2/h4-11H,3H2,1-2H3
InChIKeySMMUOFUYMJEFOW-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[3-[[4-[2-(4-ethenylphenyl)ethoxy]phenyl]methoxy]phenyl]-3-methylbenzaldehyde
CID 170409768
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
3-bromo-4-(3-ethoxyphenoxy)benzaldehyde
CID 114062278
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
3-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-methylphenyl]benzaldehyde
CID 143796681
CID 88533014
CID 88533014
2-(3-ethoxyphenyl)aniline
CID 57482711
4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 172879583
1-ethenyl-2-(3-ethoxyphenyl)benzene
CID 151818646
3-chloro-4-(5-ethoxy-3-pyridinyl)benzaldehyde
CID 114076484
4-(3,5-difluorophenyl)-3-methylbenzaldehyde
CID 81448215

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-3-methylbenzaldehyde?
The IUPAC name of 4-(3-ethoxyphenyl)-3-methylbenzaldehyde (CID 81448039) is 4-(3-ethoxyphenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(3-ethoxyphenyl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(3-ethoxyphenyl)-3-methylbenzaldehyde is CCOc1cccc(-c2ccc(C=O)cc2C)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-3-methylbenzaldehyde?
The InChIKey is SMMUOFUYMJEFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-18-15-6-4-5-14(10-15)16-8-7-13(11-17)9-12(16)2/h4-11H,3H2,1-2H3.
What are the key properties of 4-(3-ethoxyphenyl)-3-methylbenzaldehyde?
4-(3-ethoxyphenyl)-3-methylbenzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 81448039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).