5-hydroxy-2-propan-2-ylbenzaldehyde

C10H12O2 — CID 20673581

IUPAC5-hydroxy-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(O)cc1C=O
InChIInChI=1S/C10H12O2/c1-7(2)10-4-3-9(12)5-8(10)6-11/h3-7,12H,1-2H3
InChIKeyLOSOOQMIHYWSDD-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.33
Rot. Bonds2

About 5-hydroxy-2-propan-2-ylbenzaldehyde

5-hydroxy-2-propan-2-ylbenzaldehyde (PubChem CID 20673581) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-hydroxy-2-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-propan-2-ylbenzaldehyde
PubChem CID20673581
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-hydroxy-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(O)cc1C=O
InChIInChI=1S/C10H12O2/c1-7(2)10-4-3-9(12)5-8(10)6-11/h3-7,12H,1-2H3
InChIKeyLOSOOQMIHYWSDD-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
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 5-hydroxy-2-propan-2-ylbenzaldehyde?
The IUPAC name of 5-hydroxy-2-propan-2-ylbenzaldehyde (CID 20673581) is 5-hydroxy-2-propan-2-ylbenzaldehyde.
What is the SMILES notation for 5-hydroxy-2-propan-2-ylbenzaldehyde?
The canonical SMILES for 5-hydroxy-2-propan-2-ylbenzaldehyde is CC(C)c1ccc(O)cc1C=O.
What is the InChIKey of 5-hydroxy-2-propan-2-ylbenzaldehyde?
The InChIKey is LOSOOQMIHYWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)10-4-3-9(12)5-8(10)6-11/h3-7,12H,1-2H3.
What are the key properties of 5-hydroxy-2-propan-2-ylbenzaldehyde?
5-hydroxy-2-propan-2-ylbenzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-propan-2-ylbenzaldehyde is sourced from PubChem (CID 20673581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).