4-hydroxy-2-methyl-2-phenylbutanal

C11H14O2 — CID 88582805

IUPAC4-hydroxy-2-methyl-2-phenylbutanal
SMILESCC(C=O)(CCO)c1ccccc1
InChIInChI=1S/C11H14O2/c1-11(9-13,7-8-12)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyFIAKSDIKDCEXIC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.53
Rot. Bonds4

About 4-hydroxy-2-methyl-2-phenylbutanal

4-hydroxy-2-methyl-2-phenylbutanal (PubChem CID 88582805) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-2-phenylbutanal.

Molecular Properties

Compound Name4-hydroxy-2-methyl-2-phenylbutanal
PubChem CID88582805
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-hydroxy-2-methyl-2-phenylbutanal
SMILESCC(C=O)(CCO)c1ccccc1
InChIInChI=1S/C11H14O2/c1-11(9-13,7-8-12)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyFIAKSDIKDCEXIC-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.53
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-methyl-2-phenylicosanal
CID 174730762
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
CID 62275976
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
CID 62278646

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-2-phenylbutanal?
The IUPAC name of 4-hydroxy-2-methyl-2-phenylbutanal (CID 88582805) is 4-hydroxy-2-methyl-2-phenylbutanal.
What is the SMILES notation for 4-hydroxy-2-methyl-2-phenylbutanal?
The canonical SMILES for 4-hydroxy-2-methyl-2-phenylbutanal is CC(C=O)(CCO)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-methyl-2-phenylbutanal?
The InChIKey is FIAKSDIKDCEXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(9-13,7-8-12)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 4-hydroxy-2-methyl-2-phenylbutanal?
4-hydroxy-2-methyl-2-phenylbutanal has a molecular weight of 178.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-2-phenylbutanal is sourced from PubChem (CID 88582805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).