2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal

C24H32O2 — CID 129248961

IUPAC2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal
SMILESCC(C)c1ccc(CCC=O)cc1.CC(C)c1ccccc1C(C)C=O
InChIInChI=1S/2C12H16O/c1-9(2)11-6-4-5-7-12(11)10(3)8-13;1-10(2)12-7-5-11(6-8-12)4-3-9-13/h4-10H,1-3H3;5-10H,3-4H2,1-2H3
InChIKeyUMSMRDBWFLBSSA-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.05
Rot. Bonds7

About 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal

2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal (PubChem CID 129248961) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal
PubChem CID129248961
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal
SMILESCC(C)c1ccc(CCC=O)cc1.CC(C)c1ccccc1C(C)C=O
InChIInChI=1S/2C12H16O/c1-9(2)11-6-4-5-7-12(11)10(3)8-13;1-10(2)12-7-5-11(6-8-12)4-3-9-13/h4-10H,1-3H3;5-10H,3-4H2,1-2H3
InChIKeyUMSMRDBWFLBSSA-UHFFFAOYSA-N
XLogP6.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-3-(4-propan-2-ylphenyl)propanal
CID 170555574
2-methyl-4-(4-propan-2-ylphenyl)butanal
CID 64665585
3-(3-phenyl-4-propan-2-ylphenyl)propanal
CID 117384463
3-(4-pentan-3-ylphenyl)propanal
CID 117292920
2-[2,3-bis(sulfanyl)phenyl]propanal
CID 134639273
2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827
3-(4-chlorophenyl)propanal;ethane
CID 142069464
(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
CID 141427213
3,6-bis(4-propan-2-ylphenyl)hexanal
CID 175140451
2-(2-chloro-3-ethylphenyl)propanal
CID 134639593
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
methanamine;naphthalene;3-phenylpropanal;propane
CID 144589315

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal?
The IUPAC name of 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal (CID 129248961) is 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal?
The canonical SMILES for 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal is CC(C)c1ccc(CCC=O)cc1.CC(C)c1ccccc1C(C)C=O.
What is the InChIKey of 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal?
The InChIKey is UMSMRDBWFLBSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O/c1-9(2)11-6-4-5-7-12(11)10(3)8-13;1-10(2)12-7-5-11(6-8-12)4-3-9-13/h4-10H,1-3H3;5-10H,3-4H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal?
2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal has a molecular weight of 352.52 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal is sourced from PubChem (CID 129248961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).