3-ethoxy-5-(hydroxymethyl)benzaldehyde

C10H12O3 — CID 22039032

IUPAC3-ethoxy-5-(hydroxymethyl)benzaldehyde
SMILESCCOc1cc(C=O)cc(CO)c1
InChIInChI=1S/C10H12O3/c1-2-13-10-4-8(6-11)3-9(5-10)7-12/h3-6,12H,2,7H2,1H3
InChIKeyRLPPOETUCJUZGO-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.39
Rot. Bonds4

About 3-ethoxy-5-(hydroxymethyl)benzaldehyde

3-ethoxy-5-(hydroxymethyl)benzaldehyde (PubChem CID 22039032) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-ethoxy-5-(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-5-(hydroxymethyl)benzaldehyde
PubChem CID22039032
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-ethoxy-5-(hydroxymethyl)benzaldehyde
SMILESCCOc1cc(C=O)cc(CO)c1
InChIInChI=1S/C10H12O3/c1-2-13-10-4-8(6-11)3-9(5-10)7-12/h3-6,12H,2,7H2,1H3
InChIKeyRLPPOETUCJUZGO-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(hydroxymethyl)benzaldehyde
CID 87583530
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528
3-ethoxy-5-methylsulfanylbenzaldehyde
CID 171367313
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
CID 175369176
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol
CID 71228112
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
3-(2-hydroxyethoxy)-5-methylbenzaldehyde
CID 170132633
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
3-ethyl-5-phenoxybenzaldehyde
CID 141489736
3,5-didodecoxybenzaldehyde
CID 23127431
5-butoxybenzene-1,3-dicarbaldehyde;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 174155515

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(hydroxymethyl)benzaldehyde?
The IUPAC name of 3-ethoxy-5-(hydroxymethyl)benzaldehyde (CID 22039032) is 3-ethoxy-5-(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 3-ethoxy-5-(hydroxymethyl)benzaldehyde?
The canonical SMILES for 3-ethoxy-5-(hydroxymethyl)benzaldehyde is CCOc1cc(C=O)cc(CO)c1.
What is the InChIKey of 3-ethoxy-5-(hydroxymethyl)benzaldehyde?
The InChIKey is RLPPOETUCJUZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-13-10-4-8(6-11)3-9(5-10)7-12/h3-6,12H,2,7H2,1H3.
What are the key properties of 3-ethoxy-5-(hydroxymethyl)benzaldehyde?
3-ethoxy-5-(hydroxymethyl)benzaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 22039032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).