2-(2-hydroxy-2-methylpropoxy)benzaldehyde

C11H14O3 — CID 60884222

IUPAC2-(2-hydroxy-2-methylpropoxy)benzaldehyde
SMILESCC(C)(O)COc1ccccc1C=O
InChIInChI=1S/C11H14O3/c1-11(2,13)8-14-10-6-4-3-5-9(10)7-12/h3-7,13H,8H2,1-2H3
InChIKeyJSLJJKKHMSSYAW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.65
Rot. Bonds4

About 2-(2-hydroxy-2-methylpropoxy)benzaldehyde

2-(2-hydroxy-2-methylpropoxy)benzaldehyde (PubChem CID 60884222) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropoxy)benzaldehyde
PubChem CID60884222
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2-hydroxy-2-methylpropoxy)benzaldehyde
SMILESCC(C)(O)COc1ccccc1C=O
InChIInChI=1S/C11H14O3/c1-11(2,13)8-14-10-6-4-3-5-9(10)7-12/h3-7,13H,8H2,1-2H3
InChIKeyJSLJJKKHMSSYAW-UHFFFAOYSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-(4-hydroxy-5-methoxy-4-methylpent-2-ynoxy)benzaldehyde
CID 142462777
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 21071395
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2,2,2-trifluoroethyl 2-(2-formylphenoxy)acetate
CID 87891614
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropoxy)benzaldehyde?
The IUPAC name of 2-(2-hydroxy-2-methylpropoxy)benzaldehyde (CID 60884222) is 2-(2-hydroxy-2-methylpropoxy)benzaldehyde.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropoxy)benzaldehyde?
The canonical SMILES for 2-(2-hydroxy-2-methylpropoxy)benzaldehyde is CC(C)(O)COc1ccccc1C=O.
What is the InChIKey of 2-(2-hydroxy-2-methylpropoxy)benzaldehyde?
The InChIKey is JSLJJKKHMSSYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,13)8-14-10-6-4-3-5-9(10)7-12/h3-7,13H,8H2,1-2H3.
What are the key properties of 2-(2-hydroxy-2-methylpropoxy)benzaldehyde?
2-(2-hydroxy-2-methylpropoxy)benzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropoxy)benzaldehyde is sourced from PubChem (CID 60884222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).