methane;1-methyl-3-(4-methylphenyl)benzene

C15H18 — CID 158328523

IUPACmethane;1-methyl-3-(4-methylphenyl)benzene
SMILESC.Cc1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C14H14.CH4/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;/h3-10H,1-2H3;1H4
InChIKeyGPSFAMQYPDLATH-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.61
Rot. Bonds1

About methane;1-methyl-3-(4-methylphenyl)benzene

methane;1-methyl-3-(4-methylphenyl)benzene (PubChem CID 158328523) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is methane;1-methyl-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Namemethane;1-methyl-3-(4-methylphenyl)benzene
PubChem CID158328523
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Namemethane;1-methyl-3-(4-methylphenyl)benzene
SMILESC.Cc1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C14H14.CH4/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;/h3-10H,1-2H3;1H4
InChIKeyGPSFAMQYPDLATH-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
methane;1,3-xylene;1,4-xylene
CID 161051420
methane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 158386869
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-(4-methylphenyl)benzene?
The IUPAC name of methane;1-methyl-3-(4-methylphenyl)benzene (CID 158328523) is methane;1-methyl-3-(4-methylphenyl)benzene.
What is the SMILES notation for methane;1-methyl-3-(4-methylphenyl)benzene?
The canonical SMILES for methane;1-methyl-3-(4-methylphenyl)benzene is C.Cc1ccc(-c2cccc(C)c2)cc1.
What is the InChIKey of methane;1-methyl-3-(4-methylphenyl)benzene?
The InChIKey is GPSFAMQYPDLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.CH4/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;/h3-10H,1-2H3;1H4.
What are the key properties of methane;1-methyl-3-(4-methylphenyl)benzene?
methane;1-methyl-3-(4-methylphenyl)benzene has a molecular weight of 198.31 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-(4-methylphenyl)benzene is sourced from PubChem (CID 158328523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).