2-ethoxy-4-propan-2-yloxybenzaldehyde

C12H16O3 — CID 141193639

IUPAC2-ethoxy-4-propan-2-yloxybenzaldehyde
SMILESCCOc1cc(OC(C)C)ccc1C=O
InChIInChI=1S/C12H16O3/c1-4-14-12-7-11(15-9(2)3)6-5-10(12)8-13/h5-9H,4H2,1-3H3
InChIKeyDWVAQOPTBYQAII-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.68
Rot. Bonds5

About 2-ethoxy-4-propan-2-yloxybenzaldehyde

2-ethoxy-4-propan-2-yloxybenzaldehyde (PubChem CID 141193639) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethoxy-4-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name2-ethoxy-4-propan-2-yloxybenzaldehyde
PubChem CID141193639
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-ethoxy-4-propan-2-yloxybenzaldehyde
SMILESCCOc1cc(OC(C)C)ccc1C=O
InChIInChI=1S/C12H16O3/c1-4-14-12-7-11(15-9(2)3)6-5-10(12)8-13/h5-9H,4H2,1-3H3
InChIKeyDWVAQOPTBYQAII-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.68
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

3-ethoxy-4-formylbenzoic acid
CID 21100742
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
2-ethoxy-4-[[(2R,3S)-3-(3-ethoxy-4-formylphenoxy)-1,4-dioxan-2-yl]oxy]benzaldehyde
CID 7721773
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54513163
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
2-(methylamino)-5-propan-2-yloxybenzaldehyde
CID 121219252
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-propan-2-yloxybenzaldehyde?
The IUPAC name of 2-ethoxy-4-propan-2-yloxybenzaldehyde (CID 141193639) is 2-ethoxy-4-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 2-ethoxy-4-propan-2-yloxybenzaldehyde?
The canonical SMILES for 2-ethoxy-4-propan-2-yloxybenzaldehyde is CCOc1cc(OC(C)C)ccc1C=O.
What is the InChIKey of 2-ethoxy-4-propan-2-yloxybenzaldehyde?
The InChIKey is DWVAQOPTBYQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-14-12-7-11(15-9(2)3)6-5-10(12)8-13/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4-propan-2-yloxybenzaldehyde?
2-ethoxy-4-propan-2-yloxybenzaldehyde has a molecular weight of 208.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 141193639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).