4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde

C11H14O4 — CID 21404165

IUPAC4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
SMILESCCOc1ccc(C=O)cc1OC(C)O
InChIInChI=1S/C11H14O4/c1-3-14-10-5-4-9(7-12)6-11(10)15-8(2)13/h4-8,13H,3H2,1-2H3
InChIKeyUBMXWQUGBHGWCX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.61
Rot. Bonds5

About 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde

4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde (PubChem CID 21404165) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde.

Molecular Properties

Compound Name4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
PubChem CID21404165
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
SMILESCCOc1ccc(C=O)cc1OC(C)O
InChIInChI=1S/C11H14O4/c1-3-14-10-5-4-9(7-12)6-11(10)15-8(2)13/h4-8,13H,3H2,1-2H3
InChIKeyUBMXWQUGBHGWCX-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxy-4-formylphenoxy)butanamide
CID 123605101
3-ethoxy-4-(1-oxopropan-2-yl)benzaldehyde
CID 134640111
3-[(2R)-butan-2-yl]-4-ethoxybenzaldehyde
CID 86324040
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
2-(2-ethoxy-4-formylphenoxy)butanoic acid
CID 64662356
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde
CID 82037892
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde?
The IUPAC name of 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde (CID 21404165) is 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde.
What is the SMILES notation for 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde?
The canonical SMILES for 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde is CCOc1ccc(C=O)cc1OC(C)O.
What is the InChIKey of 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde?
The InChIKey is UBMXWQUGBHGWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-14-10-5-4-9(7-12)6-11(10)15-8(2)13/h4-8,13H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde?
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde is sourced from PubChem (CID 21404165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).