1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene

C22H30 — CID 91605370

IUPAC1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene
SMILESCC(C)CCc1ccc(C(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H30/c1-17(2)10-11-19-12-14-21(15-13-19)22(16-18(3)4)20-8-6-5-7-9-20/h5-9,12-15,17-18,22H,10-11,16H2,1-4H3
InChIKeyMVNRSGAHEXMWNO-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.45
Rot. Bonds7

About 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene

1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene (PubChem CID 91605370) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene
PubChem CID91605370
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene
SMILESCC(C)CCc1ccc(C(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H30/c1-17(2)10-11-19-12-14-21(15-13-19)22(16-18(3)4)20-8-6-5-7-9-20/h5-9,12-15,17-18,22H,10-11,16H2,1-4H3
InChIKeyMVNRSGAHEXMWNO-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethene;3-methylbutylbenzene
CID 145421013
1-(5-methyl-1-phenylhexyl)-4-pentylbenzene
CID 123286485
1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
CID 164757723
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
CID 144815287
CID 144815287
1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
(1-chloro-2-methyl-4-phenylbutyl)benzene
CID 86095449
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
CID 173414157
CID 173414157
2-[4-(1-phenylbutyl)phenyl]ethanol
CID 166439052
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene?
The IUPAC name of 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene (CID 91605370) is 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene.
What is the SMILES notation for 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene?
The canonical SMILES for 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene is CC(C)CCc1ccc(C(CC(C)C)c2ccccc2)cc1.
What is the InChIKey of 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene?
The InChIKey is MVNRSGAHEXMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-17(2)10-11-19-12-14-21(15-13-19)22(16-18(3)4)20-8-6-5-7-9-20/h5-9,12-15,17-18,22H,10-11,16H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene?
1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene has a molecular weight of 294.48 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene is sourced from PubChem (CID 91605370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).