1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene

C23H32 — CID 123655158

IUPAC1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene
SMILESCCCc1cc(C(C)CC)c(-c2ccccc2)c(CCC)c1C
InChIInChI=1S/C23H32/c1-6-12-20-16-22(17(4)8-3)23(19-14-10-9-11-15-19)21(13-7-2)18(20)5/h9-11,14-17H,6-8,12-13H2,1-5H3
InChIKeyAZZUBMMICRBMAB-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.08
Rot. Bonds7

About 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene

1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene (PubChem CID 123655158) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene
PubChem CID123655158
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene
SMILESCCCc1cc(C(C)CC)c(-c2ccccc2)c(CCC)c1C
InChIInChI=1S/C23H32/c1-6-12-20-16-22(17(4)8-3)23(19-14-10-9-11-15-19)21(13-7-2)18(20)5/h9-11,14-17H,6-8,12-13H2,1-5H3
InChIKeyAZZUBMMICRBMAB-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene
CID 123827327
1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
CID 123205311
1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
CID 123884738
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
2-phenyl-1,3,5-tripropylbenzene
CID 91174687
5-ethoxy-1-methyl-2-phenyl-3-propylbenzene
CID 129045989
4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol
CID 172822777
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-3-propylbenzene-1,4-diol
CID 118690325

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene?
The IUPAC name of 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene (CID 123655158) is 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene.
What is the SMILES notation for 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene?
The canonical SMILES for 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene is CCCc1cc(C(C)CC)c(-c2ccccc2)c(CCC)c1C.
What is the InChIKey of 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene?
The InChIKey is AZZUBMMICRBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-6-12-20-16-22(17(4)8-3)23(19-14-10-9-11-15-19)21(13-7-2)18(20)5/h9-11,14-17H,6-8,12-13H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene?
1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene has a molecular weight of 308.51 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene is sourced from PubChem (CID 123655158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).