2-hydroxy-4-propan-2-ylbenzaldehyde

C10H12O2 — CID 10149024

IUPAC2-hydroxy-4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)c(O)c1
InChIInChI=1S/C10H12O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-7,12H,1-2H3
InChIKeyNSLDZVUVKUIYNL-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.33
Rot. Bonds2

About 2-hydroxy-4-propan-2-ylbenzaldehyde

2-hydroxy-4-propan-2-ylbenzaldehyde (PubChem CID 10149024) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-hydroxy-4-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-propan-2-ylbenzaldehyde
PubChem CID10149024
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-hydroxy-4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)c(O)c1
InChIInChI=1S/C10H12O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-7,12H,1-2H3
InChIKeyNSLDZVUVKUIYNL-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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Related Compounds

Salicylaldehyde
CID 6998
Plumbagin
CID 10205
Juglone
CID 3806
2'-Hydroxyacetophenone
CID 8375
2'-Hydroxychalcone
CID 638276
Ginkgolic acid
CID 5281858
Ginkgoneolic acid
CID 161306
3-Hydroxybenzaldehyde
CID 101
Anacardic Acid
CID 167551
2-Acetylhydroquinone
CID 10279
Ginkgolic acid II
CID 5469634
2,5-Dihydroxybenzaldehyde
CID 70949

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-propan-2-ylbenzaldehyde?
The IUPAC name of 2-hydroxy-4-propan-2-ylbenzaldehyde (CID 10149024) is 2-hydroxy-4-propan-2-ylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-4-propan-2-ylbenzaldehyde?
The canonical SMILES for 2-hydroxy-4-propan-2-ylbenzaldehyde is CC(C)c1ccc(C=O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-propan-2-ylbenzaldehyde?
The InChIKey is NSLDZVUVKUIYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-7,12H,1-2H3.
What are the key properties of 2-hydroxy-4-propan-2-ylbenzaldehyde?
2-hydroxy-4-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 2-hydroxy-4-propan-2-ylbenzaldehyde is sourced from PubChem (CID 10149024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).