5-tert-butyl-2-hydroxybenzaldehyde

C11H14O2 — CID 1475090

IUPAC5-tert-butyl-2-hydroxybenzaldehyde
SMILESCC(C)(C)c1ccc(O)c(C=O)c1
InChIInChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3
InChIKeyZVCQQLGWGRTXGC-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.50
Rot. Bonds1

About 5-tert-butyl-2-hydroxybenzaldehyde

5-tert-butyl-2-hydroxybenzaldehyde (PubChem CID 1475090) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-tert-butyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-tert-butyl-2-hydroxybenzaldehyde
PubChem CID1475090
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-tert-butyl-2-hydroxybenzaldehyde
SMILESCC(C)(C)c1ccc(O)c(C=O)c1
InChIInChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3
InChIKeyZVCQQLGWGRTXGC-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.50
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 5-tert-butyl-2-hydroxybenzaldehyde?
The IUPAC name of 5-tert-butyl-2-hydroxybenzaldehyde (CID 1475090) is 5-tert-butyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-tert-butyl-2-hydroxybenzaldehyde?
The canonical SMILES for 5-tert-butyl-2-hydroxybenzaldehyde is CC(C)(C)c1ccc(O)c(C=O)c1.
What is the InChIKey of 5-tert-butyl-2-hydroxybenzaldehyde?
The InChIKey is ZVCQQLGWGRTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3.
What are the key properties of 5-tert-butyl-2-hydroxybenzaldehyde?
5-tert-butyl-2-hydroxybenzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 1475090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).