ethane;methane;1-methyl-3-phenylbenzene

C18H28 — CID 144644852

IUPACethane;methane;1-methyl-3-phenylbenzene
SMILESC.CC.CC.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.2C2H6.CH4/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;2*1-2;/h2-10H,1H3;2*1-2H3;1H4
InChIKeyLNHGODJQJLLBQD-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.35
Rot. Bonds1

About ethane;methane;1-methyl-3-phenylbenzene

ethane;methane;1-methyl-3-phenylbenzene (PubChem CID 144644852) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;methane;1-methyl-3-phenylbenzene.

Molecular Properties

Compound Nameethane;methane;1-methyl-3-phenylbenzene
PubChem CID144644852
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Nameethane;methane;1-methyl-3-phenylbenzene
SMILESC.CC.CC.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.2C2H6.CH4/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;2*1-2;/h2-10H,1H3;2*1-2H3;1H4
InChIKeyLNHGODJQJLLBQD-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-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethene;1-methyl-3-phenylbenzene
CID 142622149
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-3-phenylbenzene?
The IUPAC name of ethane;methane;1-methyl-3-phenylbenzene (CID 144644852) is ethane;methane;1-methyl-3-phenylbenzene.
What is the SMILES notation for ethane;methane;1-methyl-3-phenylbenzene?
The canonical SMILES for ethane;methane;1-methyl-3-phenylbenzene is C.CC.CC.Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of ethane;methane;1-methyl-3-phenylbenzene?
The InChIKey is LNHGODJQJLLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C2H6.CH4/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;2*1-2;/h2-10H,1H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;1-methyl-3-phenylbenzene?
ethane;methane;1-methyl-3-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-3-phenylbenzene is sourced from PubChem (CID 144644852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).