4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde

C15H22O4 — CID 106448329

IUPAC4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1COCCOCC(C)C
InChIInChI=1S/C15H22O4/c1-12(2)10-18-6-7-19-11-14-8-13(9-16)4-5-15(14)17-3/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyJZLQKQMFGHYJTP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.70
Rot. Bonds9

About 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde

4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde (PubChem CID 106448329) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde
PubChem CID106448329
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1COCCOCC(C)C
InChIInChI=1S/C15H22O4/c1-12(2)10-18-6-7-19-11-14-8-13(9-16)4-5-15(14)17-3/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyJZLQKQMFGHYJTP-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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'}

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Related Compounds

3-(but-3-enoxymethyl)-4-methoxybenzaldehyde
CID 62031393
2-methylpropyl 4-[(5-formyl-2-methoxyphenyl)methoxy]benzoate
CID 50742455
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxybenzaldehyde
CID 102722538
4-methoxy-3-(3-methylbutan-2-ylsulfanylmethyl)benzaldehyde
CID 103706200
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde
CID 65126517
4-methoxy-3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzaldehyde
CID 81057200
1-methoxy-2-(2-methylpropoxymethyl)-4-nitrobenzene
CID 91621448
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
3-[(4-tert-butylphenoxy)methyl]-4-methoxybenzaldehyde
CID 673672
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde?
The IUPAC name of 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde (CID 106448329) is 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde is COc1ccc(C=O)cc1COCCOCC(C)C.
What is the InChIKey of 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde?
The InChIKey is JZLQKQMFGHYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-12(2)10-18-6-7-19-11-14-8-13(9-16)4-5-15(14)17-3/h4-5,8-9,12H,6-7,10-11H2,1-3H3.
What are the key properties of 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde?
4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde has a molecular weight of 266.34 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde is sourced from PubChem (CID 106448329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).