2-(ethoxymethoxy)-4-methoxybenzaldehyde

C11H14O4 — CID 65369635

IUPAC2-(ethoxymethoxy)-4-methoxybenzaldehyde
SMILESCCOCOc1cc(OC)ccc1C=O
InChIInChI=1S/C11H14O4/c1-3-14-8-15-11-6-10(13-2)5-4-9(11)7-12/h4-7H,3,8H2,1-2H3
InChIKeyCLKBWIRXKZGCOH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.88
Rot. Bonds6

About 2-(ethoxymethoxy)-4-methoxybenzaldehyde

2-(ethoxymethoxy)-4-methoxybenzaldehyde (PubChem CID 65369635) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(ethoxymethoxy)-4-methoxybenzaldehyde
PubChem CID65369635
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(ethoxymethoxy)-4-methoxybenzaldehyde
SMILESCCOCOc1cc(OC)ccc1C=O
InChIInChI=1S/C11H14O4/c1-3-14-8-15-11-6-10(13-2)5-4-9(11)7-12/h4-7H,3,8H2,1-2H3
InChIKeyCLKBWIRXKZGCOH-UHFFFAOYSA-N
XLogP1.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.88
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde
CID 86680838
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
CID 61230234
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene
CID 167053134

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)-4-methoxybenzaldehyde?
The IUPAC name of 2-(ethoxymethoxy)-4-methoxybenzaldehyde (CID 65369635) is 2-(ethoxymethoxy)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(ethoxymethoxy)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(ethoxymethoxy)-4-methoxybenzaldehyde is CCOCOc1cc(OC)ccc1C=O.
What is the InChIKey of 2-(ethoxymethoxy)-4-methoxybenzaldehyde?
The InChIKey is CLKBWIRXKZGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-14-8-15-11-6-10(13-2)5-4-9(11)7-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(ethoxymethoxy)-4-methoxybenzaldehyde?
2-(ethoxymethoxy)-4-methoxybenzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-4-methoxybenzaldehyde is sourced from PubChem (CID 65369635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).