2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde

C17H18O3 — CID 115955548

IUPAC2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde
SMILESCOc1ccc(CCOc2c(C)cccc2C=O)cc1
InChIInChI=1S/C17H18O3/c1-13-4-3-5-15(12-18)17(13)20-11-10-14-6-8-16(19-2)9-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyWWIHTLGJQGCENT-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.44
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde

2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde (PubChem CID 115955548) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde
PubChem CID115955548
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde
SMILESCOc1ccc(CCOc2c(C)cccc2C=O)cc1
InChIInChI=1S/C17H18O3/c1-13-4-3-5-15(12-18)17(13)20-11-10-14-6-8-16(19-2)9-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyWWIHTLGJQGCENT-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.44
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-(4-methoxyphenyl)ethoxy]benzaldehyde
CID 60643670
3-methyl-2-(2-thiophen-3-ylethoxy)benzaldehyde
CID 112611083
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
3-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616054
2-[2-(3-bromophenoxy)ethoxy]-3-methylbenzaldehyde
CID 115955560
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde
CID 112610948
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20990983
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
CID 51340439
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde (CID 115955548) is 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde is COc1ccc(CCOc2c(C)cccc2C=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde?
The InChIKey is WWIHTLGJQGCENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13-4-3-5-15(12-18)17(13)20-11-10-14-6-8-16(19-2)9-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde?
2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 115955548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).