ethane;1-methyl-3-phenylbenzene

C17H24 — CID 142040878

IUPACethane;1-methyl-3-phenylbenzene
SMILESCC.CC.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.2C2H6/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;2*1-2/h2-10H,1H3;2*1-2H3
InChIKeyJBCLUDXHYMGSRU-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.71
Rot. Bonds1

About ethane;1-methyl-3-phenylbenzene

ethane;1-methyl-3-phenylbenzene (PubChem CID 142040878) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-methyl-3-phenylbenzene.

Molecular Properties

Compound Nameethane;1-methyl-3-phenylbenzene
PubChem CID142040878
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;1-methyl-3-phenylbenzene
SMILESCC.CC.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.2C2H6/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;2*1-2/h2-10H,1H3;2*1-2H3
InChIKeyJBCLUDXHYMGSRU-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
methanamine;1-methyl-3-phenylbenzene
CID 145414985
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
ethene;1-methyl-3-phenylbenzene
CID 142622149
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
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
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-phenylbenzene?
The IUPAC name of ethane;1-methyl-3-phenylbenzene (CID 142040878) is ethane;1-methyl-3-phenylbenzene.
What is the SMILES notation for ethane;1-methyl-3-phenylbenzene?
The canonical SMILES for ethane;1-methyl-3-phenylbenzene is CC.CC.Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of ethane;1-methyl-3-phenylbenzene?
The InChIKey is JBCLUDXHYMGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C2H6/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;2*1-2/h2-10H,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-phenylbenzene?
ethane;1-methyl-3-phenylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-phenylbenzene is sourced from PubChem (CID 142040878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).