ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene

C18H24 — CID 144910624

IUPACethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
SMILESCC.CCc1c(C)cccc1-c1ccccc1C
InChIInChI=1S/C16H18.C2H6/c1-4-14-12(2)9-7-11-16(14)15-10-6-5-8-13(15)3;1-2/h5-11H,4H2,1-3H3;1-2H3
InChIKeyGRCOSUUNBVAKPP-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.56
Rot. Bonds2

About ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene

ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene (PubChem CID 144910624) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene.

Molecular Properties

Compound Nameethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
PubChem CID144910624
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Nameethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
SMILESCC.CCc1c(C)cccc1-c1ccccc1C
InChIInChI=1S/C16H18.C2H6/c1-4-14-12(2)9-7-11-16(14)15-10-6-5-8-13(15)3;1-2/h5-11H,4H2,1-3H3;1-2H3
InChIKeyGRCOSUUNBVAKPP-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene?
The IUPAC name of ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene (CID 144910624) is ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene.
What is the SMILES notation for ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene?
The canonical SMILES for ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene is CC.CCc1c(C)cccc1-c1ccccc1C.
What is the InChIKey of ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene?
The InChIKey is GRCOSUUNBVAKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C2H6/c1-4-14-12(2)9-7-11-16(14)15-10-6-5-8-13(15)3;1-2/h5-11H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene?
ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene has a molecular weight of 240.39 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene is sourced from PubChem (CID 144910624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).