2-methyl-2-phenylbutanal;hydrochloride

C11H15ClO — CID 141064880

IUPAC2-methyl-2-phenylbutanal;hydrochloride
SMILESCCC(C)(C=O)c1ccccc1.Cl
InChIInChI=1S/C11H14O.ClH/c1-3-11(2,9-12)10-7-5-4-6-8-10;/h4-9H,3H2,1-2H3;1H
InChIKeyDRPNJXUPGJNPHR-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.97
Rot. Bonds3

About 2-methyl-2-phenylbutanal;hydrochloride

2-methyl-2-phenylbutanal;hydrochloride (PubChem CID 141064880) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-methyl-2-phenylbutanal;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-phenylbutanal;hydrochloride
PubChem CID141064880
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-methyl-2-phenylbutanal;hydrochloride
SMILESCCC(C)(C=O)c1ccccc1.Cl
InChIInChI=1S/C11H14O.ClH/c1-3-11(2,9-12)10-7-5-4-6-8-10;/h4-9H,3H2,1-2H3;1H
InChIKeyDRPNJXUPGJNPHR-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
2-[4-(dimethylamino)phenyl]-2-methylbutanal
CID 24822543
2-methyl-2-phenylicosanal
CID 174730762
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
CID 62278646
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylbutanal;hydrochloride?
The IUPAC name of 2-methyl-2-phenylbutanal;hydrochloride (CID 141064880) is 2-methyl-2-phenylbutanal;hydrochloride.
What is the SMILES notation for 2-methyl-2-phenylbutanal;hydrochloride?
The canonical SMILES for 2-methyl-2-phenylbutanal;hydrochloride is CCC(C)(C=O)c1ccccc1.Cl.
What is the InChIKey of 2-methyl-2-phenylbutanal;hydrochloride?
The InChIKey is DRPNJXUPGJNPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.ClH/c1-3-11(2,9-12)10-7-5-4-6-8-10;/h4-9H,3H2,1-2H3;1H.
What are the key properties of 2-methyl-2-phenylbutanal;hydrochloride?
2-methyl-2-phenylbutanal;hydrochloride has a molecular weight of 198.69 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylbutanal;hydrochloride is sourced from PubChem (CID 141064880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).