1-methyl-4-(4-propylphenyl)benzene

C80H90 — CID 157416879

IUPAC1-methyl-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/5C16H18/c5*1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h5*5-12H,3-4H2,1-2H3
InChIKeyBOYJYXZSQBOQQY-UHFFFAOYSA-N
MW1051.60 g/mol
LogP23.07
Rot. Bonds15

About 1-methyl-4-(4-propylphenyl)benzene

1-methyl-4-(4-propylphenyl)benzene (PubChem CID 157416879) has the molecular formula C80H90 and a molecular weight of 1051.60 g/mol. Its IUPAC name is 1-methyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-propylphenyl)benzene
PubChem CID157416879
Molecular FormulaC80H90
Molecular Weight1051.60 g/mol
Exact Mass1050.70
IUPAC Name1-methyl-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/5C16H18/c5*1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h5*5-12H,3-4H2,1-2H3
InChIKeyBOYJYXZSQBOQQY-UHFFFAOYSA-N
XLogP23.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.60
LogP ≤ 523.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propylphenyl)benzene?
The IUPAC name of 1-methyl-4-(4-propylphenyl)benzene (CID 157416879) is 1-methyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-methyl-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-methyl-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-propylphenyl)benzene?
The InChIKey is BOYJYXZSQBOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C16H18/c5*1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h5*5-12H,3-4H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propylphenyl)benzene?
1-methyl-4-(4-propylphenyl)benzene has a molecular weight of 1051.60 g/mol, XLogP of 23.07, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 157416879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).