1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene

C32H42 — CID 23499732

IUPAC1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
SMILESCCC(C)CC(c1ccc(C)cc1)c1ccc(C(CC(C)CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H42/c1-7-23(3)21-31(27-13-9-25(5)10-14-27)29-17-19-30(20-18-29)32(22-24(4)8-2)28-15-11-26(6)12-16-28/h9-20,23-24,31-32H,7-8,21-22H2,1-6H3
InChIKeyIPIJLMVMLVTZHF-UHFFFAOYSA-N
MW426.69 g/mol
LogP9.44
Rot. Bonds10

About 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene

1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene (PubChem CID 23499732) has the molecular formula C32H42 and a molecular weight of 426.69 g/mol. Its IUPAC name is 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene.

Molecular Properties

Compound Name1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
PubChem CID23499732
Molecular FormulaC32H42
Molecular Weight426.69 g/mol
Exact Mass426.33
IUPAC Name1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
SMILESCCC(C)CC(c1ccc(C)cc1)c1ccc(C(CC(C)CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H42/c1-7-23(3)21-31(27-13-9-25(5)10-14-27)29-17-19-30(20-18-29)32(22-24(4)8-2)28-15-11-26(6)12-16-28/h9-20,23-24,31-32H,7-8,21-22H2,1-6H3
InChIKeyIPIJLMVMLVTZHF-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol
CID 139952288
4-methyl-2-(4-methylphenyl)hexan-1-amine
CID 79436258
4-methyl-2-(4-methylphenyl)hexan-1-ol
CID 79436224
1-(1-tert-butylperoxy-3-methylpentyl)-4-methylbenzene
CID 171934133
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
CID 105236985
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
CID 142590749
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-methyl-4-(1-nitrosopropyl)benzene
CID 90998450

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
The IUPAC name of 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene (CID 23499732) is 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene.
What is the SMILES notation for 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
The canonical SMILES for 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene is CCC(C)CC(c1ccc(C)cc1)c1ccc(C(CC(C)CC)c2ccc(C)cc2)cc1.
What is the InChIKey of 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
The InChIKey is IPIJLMVMLVTZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42/c1-7-23(3)21-31(27-13-9-25(5)10-14-27)29-17-19-30(20-18-29)32(22-24(4)8-2)28-15-11-26(6)12-16-28/h9-20,23-24,31-32H,7-8,21-22H2,1-6H3.
What are the key properties of 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene has a molecular weight of 426.69 g/mol, XLogP of 9.44, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene is sourced from PubChem (CID 23499732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).