1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene

C20H26 — CID 164757723

IUPAC1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)CCc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26/c1-15(2)5-6-17-7-9-19(10-8-17)20-13-11-18(12-14-20)16(3)4/h7-16H,5-6H2,1-4H3
InChIKeyPQUODRYLSSQNCS-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.07
Rot. Bonds5

About 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene

1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene (PubChem CID 164757723) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
PubChem CID164757723
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)CCc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26/c1-15(2)5-6-17-7-9-19(10-8-17)20-13-11-18(12-14-20)16(3)4/h7-16H,5-6H2,1-4H3
InChIKeyPQUODRYLSSQNCS-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
2-methyl-4-(4-propan-2-ylphenyl)butanal
CID 64665585
1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene
CID 91605370
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942
1-(2-chloroethyl)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 159659328
2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
CID 82083442
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene (CID 164757723) is 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene is CC(C)CCc1ccc(-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene?
The InChIKey is PQUODRYLSSQNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-15(2)5-6-17-7-9-19(10-8-17)20-13-11-18(12-14-20)16(3)4/h7-16H,5-6H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene?
1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene has a molecular weight of 266.43 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 164757723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).