4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal

C24H30O2 — CID 175130085

IUPAC4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal
SMILESCCCc1ccc(C(CC=O)C(=O)CCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30O2/c1-4-5-19-8-13-22(14-9-19)23(16-17-25)24(26)15-10-20-6-11-21(12-7-20)18(2)3/h6-9,11-14,17-18,23H,4-5,10,15-16H2,1-3H3
InChIKeyRQLWVLZGNOUJRN-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.64
Rot. Bonds10

About 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal

4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal (PubChem CID 175130085) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal.

Molecular Properties

Compound Name4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal
PubChem CID175130085
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal
SMILESCCCc1ccc(C(CC=O)C(=O)CCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30O2/c1-4-5-19-8-13-22(14-9-19)23(16-17-25)24(26)15-10-20-6-11-21(12-7-20)18(2)3/h6-9,11-14,17-18,23H,4-5,10,15-16H2,1-3H3
InChIKeyRQLWVLZGNOUJRN-UHFFFAOYSA-N
XLogP5.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-3-(4-propylphenyl)hexanal
CID 87701330
6-(4-aminophenyl)-4-oxo-3-phenylhexanal
CID 57268469
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
3,6-bis(4-propan-2-ylphenyl)hexanal
CID 175140451
2-(4-propylphenyl)propanoic acid
CID 14880971
3-hydroxy-3-(4-propan-2-ylphenyl)propanal
CID 114795189
2-methyl-3-(4-propylphenyl)butanoic acid
CID 79730190

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal?
The IUPAC name of 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal (CID 175130085) is 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal.
What is the SMILES notation for 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal?
The canonical SMILES for 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal is CCCc1ccc(C(CC=O)C(=O)CCc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal?
The InChIKey is RQLWVLZGNOUJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-4-5-19-8-13-22(14-9-19)23(16-17-25)24(26)15-10-20-6-11-21(12-7-20)18(2)3/h6-9,11-14,17-18,23H,4-5,10,15-16H2,1-3H3.
What are the key properties of 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal?
4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal has a molecular weight of 350.50 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal is sourced from PubChem (CID 175130085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).