2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde

C10H12O3 — CID 87795646

IUPAC2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
SMILESCCc1c(O)ccc(CC=O)c1O
InChIInChI=1S/C10H12O3/c1-2-8-9(12)4-3-7(5-6-11)10(8)13/h3-4,6,12-13H,2,5H2,1H3
InChIKeyZYKPWTJLXQNMHZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.40
Rot. Bonds3

About 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde

2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde (PubChem CID 87795646) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
PubChem CID87795646
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
SMILESCCc1c(O)ccc(CC=O)c1O
InChIInChI=1S/C10H12O3/c1-2-8-9(12)4-3-7(5-6-11)10(8)13/h3-4,6,12-13H,2,5H2,1H3
InChIKeyZYKPWTJLXQNMHZ-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde (CID 87795646) is 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde is CCc1c(O)ccc(CC=O)c1O.
What is the InChIKey of 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
The InChIKey is ZYKPWTJLXQNMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-8-9(12)4-3-7(5-6-11)10(8)13/h3-4,6,12-13H,2,5H2,1H3.
What are the key properties of 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde is sourced from PubChem (CID 87795646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).