1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene

C24H34 — CID 123827327

IUPAC1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene
SMILESCCCc1cc(C(C)CC)c(C)c(C(C)CC)c1-c1ccccc1
InChIInChI=1S/C24H34/c1-7-13-21-16-22(17(4)8-2)19(6)23(18(5)9-3)24(21)20-14-11-10-12-15-20/h10-12,14-18H,7-9,13H2,1-6H3
InChIKeyFESGXZJNASWBLE-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.64
Rot. Bonds7

About 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene

1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene (PubChem CID 123827327) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene.

Molecular Properties

Compound Name1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene
PubChem CID123827327
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene
SMILESCCCc1cc(C(C)CC)c(C)c(C(C)CC)c1-c1ccccc1
InChIInChI=1S/C24H34/c1-7-13-21-16-22(17(4)8-2)19(6)23(18(5)9-3)24(21)20-14-11-10-12-15-20/h10-12,14-18H,7-9,13H2,1-6H3
InChIKeyFESGXZJNASWBLE-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene
CID 123655158
1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
CID 123884738
2-phenyl-1,3,5-tripropylbenzene
CID 91174687
5-ethoxy-1-methyl-2-phenyl-3-propylbenzene
CID 129045989
1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
CID 123205311
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
1-pentan-2-yl-3,5-dipentyl-2-phenylbenzene
CID 123204359
2-butan-2-yl-1,4-diphenylbenzene
CID 57314523
4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol
CID 135003920
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
CID 144519167
4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
CID 150437166

Frequently Asked Questions

What is the IUPAC name of 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene?
The IUPAC name of 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene (CID 123827327) is 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene.
What is the SMILES notation for 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene?
The canonical SMILES for 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene is CCCc1cc(C(C)CC)c(C)c(C(C)CC)c1-c1ccccc1.
What is the InChIKey of 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene?
The InChIKey is FESGXZJNASWBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-7-13-21-16-22(17(4)8-2)19(6)23(18(5)9-3)24(21)20-14-11-10-12-15-20/h10-12,14-18H,7-9,13H2,1-6H3.
What are the key properties of 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene?
1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene has a molecular weight of 322.54 g/mol, XLogP of 7.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene is sourced from PubChem (CID 123827327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).