2-(2-hydroxyphenyl)-2-methylpropanal

C10H12O2 — CID 88788107

IUPAC2-(2-hydroxyphenyl)-2-methylpropanal
SMILESCC(C)(C=O)c1ccccc1O
InChIInChI=1S/C10H12O2/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-7,12H,1-2H3
InChIKeyUBQLNZWLDFQLEC-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.87
Rot. Bonds2

About 2-(2-hydroxyphenyl)-2-methylpropanal

2-(2-hydroxyphenyl)-2-methylpropanal (PubChem CID 88788107) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-methylpropanal.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-methylpropanal
PubChem CID88788107
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(2-hydroxyphenyl)-2-methylpropanal
SMILESCC(C)(C=O)c1ccccc1O
InChIInChI=1S/C10H12O2/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-7,12H,1-2H3
InChIKeyUBQLNZWLDFQLEC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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 2-(2-hydroxyphenyl)-2-methylpropanal?
The IUPAC name of 2-(2-hydroxyphenyl)-2-methylpropanal (CID 88788107) is 2-(2-hydroxyphenyl)-2-methylpropanal.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-methylpropanal?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-methylpropanal is CC(C)(C=O)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-methylpropanal?
The InChIKey is UBQLNZWLDFQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-7,12H,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-2-methylpropanal?
2-(2-hydroxyphenyl)-2-methylpropanal has a molecular weight of 164.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-methylpropanal is sourced from PubChem (CID 88788107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).