4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde

C15H22O4 — CID 61060048

IUPAC4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
SMILESCOc1ccc(C=O)c(OCCOCCC(C)C)c1
InChIInChI=1S/C15H22O4/c1-12(2)6-7-18-8-9-19-15-10-14(17-3)5-4-13(15)11-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyXYEOMONACNJLOA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.95
Rot. Bonds9

About 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde

4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde (PubChem CID 61060048) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
PubChem CID61060048
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
SMILESCOc1ccc(C=O)c(OCCOCCC(C)C)c1
InChIInChI=1S/C15H22O4/c1-12(2)6-7-18-8-9-19-15-10-14(17-3)5-4-13(15)11-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyXYEOMONACNJLOA-UHFFFAOYSA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
CID 71402775
(NE)-N-[1-[4-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002244
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
N-[[5-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61483691
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde?
The IUPAC name of 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde (CID 61060048) is 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde?
The canonical SMILES for 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde is COc1ccc(C=O)c(OCCOCCC(C)C)c1.
What is the InChIKey of 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde?
The InChIKey is XYEOMONACNJLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-12(2)6-7-18-8-9-19-15-10-14(17-3)5-4-13(15)11-16/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde?
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde has a molecular weight of 266.34 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 61060048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).