2-hydroxy-6-propan-2-ylbenzaldehyde

C10H12O2 — CID 45096217

IUPAC2-hydroxy-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1cccc(O)c1C=O
InChIInChI=1S/C10H12O2/c1-7(2)8-4-3-5-10(12)9(8)6-11/h3-7,12H,1-2H3
InChIKeyPUHBMFQIBBOZJF-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.33
Rot. Bonds2

About 2-hydroxy-6-propan-2-ylbenzaldehyde

2-hydroxy-6-propan-2-ylbenzaldehyde (PubChem CID 45096217) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-hydroxy-6-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-propan-2-ylbenzaldehyde
PubChem CID45096217
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-hydroxy-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1cccc(O)c1C=O
InChIInChI=1S/C10H12O2/c1-7(2)8-4-3-5-10(12)9(8)6-11/h3-7,12H,1-2H3
InChIKeyPUHBMFQIBBOZJF-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

2-(difluoromethyl)-6-hydroxybenzaldehyde
CID 84654276
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817732
2-(3-chloro-1,2-dihydroxypropyl)-6-hydroxybenzaldehyde
CID 171861908
2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
CID 19004465
2-(4-bromo-1,2-dihydroxybutyl)-6-hydroxybenzaldehyde
CID 171891883
2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-fluoro-3-propan-2-ylphenol
CID 71302551
2-bromo-3-propan-2-ylphenol
CID 23114133
3-hydroxy-2-propan-2-ylbenzaldehyde
CID 22259582
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde
CID 59915467

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-propan-2-ylbenzaldehyde?
The IUPAC name of 2-hydroxy-6-propan-2-ylbenzaldehyde (CID 45096217) is 2-hydroxy-6-propan-2-ylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-6-propan-2-ylbenzaldehyde?
The canonical SMILES for 2-hydroxy-6-propan-2-ylbenzaldehyde is CC(C)c1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-propan-2-ylbenzaldehyde?
The InChIKey is PUHBMFQIBBOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)8-4-3-5-10(12)9(8)6-11/h3-7,12H,1-2H3.
What are the key properties of 2-hydroxy-6-propan-2-ylbenzaldehyde?
2-hydroxy-6-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-6-propan-2-ylbenzaldehyde is sourced from PubChem (CID 45096217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).