2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal

C20H24O — CID 173351548

IUPAC2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal
SMILESCc1c(C)c(C)c(C(C)(C=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C20H24O/c1-13-14(2)16(4)19(17(5)15(13)3)20(6,12-21)18-10-8-7-9-11-18/h7-12H,1-6H3
InChIKeyCMQQCFJZJBBVFQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.73
Rot. Bonds3

About 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal

2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal (PubChem CID 173351548) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal
PubChem CID173351548
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal
SMILESCc1c(C)c(C)c(C(C)(C=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C20H24O/c1-13-14(2)16(4)19(17(5)15(13)3)20(6,12-21)18-10-8-7-9-11-18/h7-12H,1-6H3
InChIKeyCMQQCFJZJBBVFQ-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.73
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

2-[(1-oxo-2-phenylpropan-2-yl)disulfanyl]-2-phenylpropanal
CID 88840285
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032
tert-butylbenzene;methyl formate
CID 174802474
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde
CID 88601459
2,2-diphenylpropanedial
CID 15324204
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
ethyl formate;2-methylbutan-2-ylbenzene
CID 174608198

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal?
The IUPAC name of 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal (CID 173351548) is 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal.
What is the SMILES notation for 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal?
The canonical SMILES for 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal is Cc1c(C)c(C)c(C(C)(C=O)c2ccccc2)c(C)c1C.
What is the InChIKey of 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal?
The InChIKey is CMQQCFJZJBBVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-13-14(2)16(4)19(17(5)15(13)3)20(6,12-21)18-10-8-7-9-11-18/h7-12H,1-6H3.
What are the key properties of 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal?
2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal has a molecular weight of 280.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal is sourced from PubChem (CID 173351548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).