2-hydroxy-3-methyl-2-phenylbutanal

C11H14O2 — CID 12859212

IUPAC2-hydroxy-3-methyl-2-phenylbutanal
SMILESCC(C)C(O)(C=O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(2)11(13,8-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3
InChIKeyMAQQQTOXGQSOOE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.73
Rot. Bonds3

About 2-hydroxy-3-methyl-2-phenylbutanal

2-hydroxy-3-methyl-2-phenylbutanal (PubChem CID 12859212) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-2-phenylbutanal.

Molecular Properties

Compound Name2-hydroxy-3-methyl-2-phenylbutanal
PubChem CID12859212
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-hydroxy-3-methyl-2-phenylbutanal
SMILESCC(C)C(O)(C=O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(2)11(13,8-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3
InChIKeyMAQQQTOXGQSOOE-UHFFFAOYSA-N
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.73
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

3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
diphenylmethanediol;dihydrochloride
CID 174953837
3-hydroxy-3-phenyl-2-propan-2-ylpent-4-enoic acid
CID 66039315
4-hydroxy-2-methyl-3-oxo-4-phenylpentanal
CID 175067613
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
potassium;sodium;2-phenyl-2-propan-2-ylpropanedioate
CID 139411731
1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
CID 22890028
1,1,4-trifluoro-2-phenylbut-3-en-2-ol
CID 175602926
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
2,2-diphenylpropanedial
CID 15324204
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
CID 142176021

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-2-phenylbutanal?
The IUPAC name of 2-hydroxy-3-methyl-2-phenylbutanal (CID 12859212) is 2-hydroxy-3-methyl-2-phenylbutanal.
What is the SMILES notation for 2-hydroxy-3-methyl-2-phenylbutanal?
The canonical SMILES for 2-hydroxy-3-methyl-2-phenylbutanal is CC(C)C(O)(C=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-methyl-2-phenylbutanal?
The InChIKey is MAQQQTOXGQSOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(2)11(13,8-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3.
What are the key properties of 2-hydroxy-3-methyl-2-phenylbutanal?
2-hydroxy-3-methyl-2-phenylbutanal has a molecular weight of 178.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-2-phenylbutanal is sourced from PubChem (CID 12859212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).