2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde

C10H12O3 — CID 54156927

IUPAC2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
SMILESCCOc1cc(CC=O)ccc1O
InChIInChI=1S/C10H12O3/c1-2-13-10-7-8(5-6-11)3-4-9(10)12/h3-4,6-7,12H,2,5H2,1H3
InChIKeyRUUKMCJTJWDABL-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.53
Rot. Bonds4

About 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde

2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde (PubChem CID 54156927) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
PubChem CID54156927
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
SMILESCCOc1cc(CC=O)ccc1O
InChIInChI=1S/C10H12O3/c1-2-13-10-7-8(5-6-11)3-4-9(10)12/h3-4,6-7,12H,2,5H2,1H3
InChIKeyRUUKMCJTJWDABL-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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

1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
2-(3-ethoxy-4-propoxyphenyl)acetaldehyde
CID 82362954
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
3-(3-ethoxy-4-hydroxyphenyl)-2-oxopropanoic acid
CID 16781603
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83110402
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
CID 175369176
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde (CID 54156927) is 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde is CCOc1cc(CC=O)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde?
The InChIKey is RUUKMCJTJWDABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-13-10-7-8(5-6-11)3-4-9(10)12/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde?
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 54156927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).