2,3-diethyl-4-hydroxybenzaldehyde

C11H14O2 — CID 88956337

IUPAC2,3-diethyl-4-hydroxybenzaldehyde
SMILESCCc1c(O)ccc(C=O)c1CC
InChIInChI=1S/C11H14O2/c1-3-9-8(7-12)5-6-11(13)10(9)4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyFNKAERGEVXBTOC-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.33
Rot. Bonds3

About 2,3-diethyl-4-hydroxybenzaldehyde

2,3-diethyl-4-hydroxybenzaldehyde (PubChem CID 88956337) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,3-diethyl-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,3-diethyl-4-hydroxybenzaldehyde
PubChem CID88956337
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,3-diethyl-4-hydroxybenzaldehyde
SMILESCCc1c(O)ccc(C=O)c1CC
InChIInChI=1S/C11H14O2/c1-3-9-8(7-12)5-6-11(13)10(9)4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyFNKAERGEVXBTOC-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-diethyl-4-hydroxybenzaldehyde?
The IUPAC name of 2,3-diethyl-4-hydroxybenzaldehyde (CID 88956337) is 2,3-diethyl-4-hydroxybenzaldehyde.
What is the SMILES notation for 2,3-diethyl-4-hydroxybenzaldehyde?
The canonical SMILES for 2,3-diethyl-4-hydroxybenzaldehyde is CCc1c(O)ccc(C=O)c1CC.
What is the InChIKey of 2,3-diethyl-4-hydroxybenzaldehyde?
The InChIKey is FNKAERGEVXBTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-9-8(7-12)5-6-11(13)10(9)4-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-4-hydroxybenzaldehyde?
2,3-diethyl-4-hydroxybenzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-hydroxybenzaldehyde is sourced from PubChem (CID 88956337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).