1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene

C20H24 — CID 163776983

IUPAC1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene
SMILESC=C(CCC(C)C)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h6-7,9-15H,4-5,8H2,1-3H3
InChIKeyMLHVQPSIAVLZAQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP6.11
Rot. Bonds5

About 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene

1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene (PubChem CID 163776983) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene
PubChem CID163776983
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene
SMILESC=C(CCC(C)C)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h6-7,9-15H,4-5,8H2,1-3H3
InChIKeyMLHVQPSIAVLZAQ-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene
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1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene
CID 143865907
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
1-methyl-4-[5-methyl-1-(4-methylphenyl)-2-propylhex-1-enyl]benzene
CID 142510779
4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline
CID 145262451
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
ethane;1-methyl-4-[2-(4-methylphenyl)prop-2-enyl]benzene
CID 153375358
1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene
CID 122397383
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene (CID 163776983) is 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene is C=C(CCC(C)C)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene?
The InChIKey is MLHVQPSIAVLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h6-7,9-15H,4-5,8H2,1-3H3.
What are the key properties of 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene?
1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene has a molecular weight of 264.41 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene is sourced from PubChem (CID 163776983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).