ethane;methane;1-methyl-4-phenylbenzene

C18H28 — CID 143611995

IUPACethane;methane;1-methyl-4-phenylbenzene
SMILESC.CC.CC.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12.2C2H6.CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;2*1-2;/h2-10H,1H3;2*1-2H3;1H4
InChIKeyVHHZGMLAWFJBDE-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.35
Rot. Bonds1

About ethane;methane;1-methyl-4-phenylbenzene

ethane;methane;1-methyl-4-phenylbenzene (PubChem CID 143611995) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;methane;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Nameethane;methane;1-methyl-4-phenylbenzene
PubChem CID143611995
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Nameethane;methane;1-methyl-4-phenylbenzene
SMILESC.CC.CC.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12.2C2H6.CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;2*1-2;/h2-10H,1H3;2*1-2H3;1H4
InChIKeyVHHZGMLAWFJBDE-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
1,1'-biphenyl;toluene
CID 18366440
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-4-phenylbenzene?
The IUPAC name of ethane;methane;1-methyl-4-phenylbenzene (CID 143611995) is ethane;methane;1-methyl-4-phenylbenzene.
What is the SMILES notation for ethane;methane;1-methyl-4-phenylbenzene?
The canonical SMILES for ethane;methane;1-methyl-4-phenylbenzene is C.CC.CC.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;methane;1-methyl-4-phenylbenzene?
The InChIKey is VHHZGMLAWFJBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C2H6.CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;2*1-2;/h2-10H,1H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;1-methyl-4-phenylbenzene?
ethane;methane;1-methyl-4-phenylbenzene has a molecular weight of 244.42 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-4-phenylbenzene is sourced from PubChem (CID 143611995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).