2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde

C17H18O3 — CID 51340439

IUPAC2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
SMILESCOc1cc(OCCc2ccc(C)cc2)ccc1C=O
InChIInChI=1S/C17H18O3/c1-13-3-5-14(6-4-13)9-10-20-16-8-7-15(12-18)17(11-16)19-2/h3-8,11-12H,9-10H2,1-2H3
InChIKeyAREJKHTYUPOCFJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.44
Rot. Bonds6

About 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde

2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde (PubChem CID 51340439) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
PubChem CID51340439
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
SMILESCOc1cc(OCCc2ccc(C)cc2)ccc1C=O
InChIInChI=1S/C17H18O3/c1-13-3-5-14(6-4-13)9-10-20-16-8-7-15(12-18)17(11-16)19-2/h3-8,11-12H,9-10H2,1-2H3
InChIKeyAREJKHTYUPOCFJ-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
4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
2-methoxy-4-(4-oxoheptoxy)benzaldehyde
CID 58198820
4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide
CID 121344830
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-(2-formyl-5-methoxyphenoxy)ethyl 4-methylbenzenesulfonate
CID 101412692
4-(chloromethyl)-2-methoxybenzaldehyde
CID 141225522
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde
CID 115955548
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 114844824

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde?
The IUPAC name of 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde (CID 51340439) is 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde.
What is the SMILES notation for 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde?
The canonical SMILES for 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde is COc1cc(OCCc2ccc(C)cc2)ccc1C=O.
What is the InChIKey of 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde?
The InChIKey is AREJKHTYUPOCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13-3-5-14(6-4-13)9-10-20-16-8-7-15(12-18)17(11-16)19-2/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde?
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde 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-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde is sourced from PubChem (CID 51340439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).