1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene

C28H28 — CID 143481088

IUPAC1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
SMILESCCCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16.C13H12/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h3-5,7-12H,2,6H2,1H3;2-10H,1H3
InChIKeyRFZJSGSPJTYDNA-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.97
Rot. Bonds4

About 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene

1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene (PubChem CID 143481088) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene.

Molecular Properties

Compound Name1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
PubChem CID143481088
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
SMILESCCCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16.C13H12/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h3-5,7-12H,2,6H2,1H3;2-10H,1H3
InChIKeyRFZJSGSPJTYDNA-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-propylphenyl)benzene
CID 157416879
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
CID 175306290
CID 175306290
benzene;propylbenzene;toluene
CID 142060228
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
CID 144519167
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
4-propylphenol;toluene
CID 174488913
butane;methane;propane;propylbenzene;toluene
CID 160913723

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene?
The IUPAC name of 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene (CID 143481088) is 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene.
What is the SMILES notation for 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene?
The canonical SMILES for 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene is CCCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene?
The InChIKey is RFZJSGSPJTYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C13H12/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h3-5,7-12H,2,6H2,1H3;2-10H,1H3.
What are the key properties of 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene?
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene has a molecular weight of 364.53 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene is sourced from PubChem (CID 143481088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).