ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene

C21H30 — CID 163273816

IUPACethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene
SMILESCC.CC.Cc1ccccc1/C=C/Cc1ccccc1C
InChIInChI=1S/C17H18.2C2H6/c1-14-8-3-5-10-16(14)12-7-13-17-11-6-4-9-15(17)2;2*1-2/h3-12H,13H2,1-2H3;2*1-2H3/b12-7+;;
InChIKeyGAEMICSSERGMRH-CURPJKDSSA-N
MW282.47 g/mol
LogP6.61
Rot. Bonds3

About ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene

ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene (PubChem CID 163273816) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene
PubChem CID163273816
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Nameethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene
SMILESCC.CC.Cc1ccccc1/C=C/Cc1ccccc1C
InChIInChI=1S/C17H18.2C2H6/c1-14-8-3-5-10-16(14)12-7-13-17-11-6-4-9-15(17)2;2*1-2/h3-12H,13H2,1-2H3;2*1-2H3/b12-7+;;
InChIKeyGAEMICSSERGMRH-CURPJKDSSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 79347344
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
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methane;1-methyl-2-prop-2-enylbenzene
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1-methyl-2-prop-2-enylbenzene;sulfane
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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene?
The IUPAC name of ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene (CID 163273816) is ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene.
What is the SMILES notation for ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene?
The canonical SMILES for ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene is CC.CC.Cc1ccccc1/C=C/Cc1ccccc1C.
What is the InChIKey of ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene?
The InChIKey is GAEMICSSERGMRH-CURPJKDSSA-N. The full InChI is InChI=1S/C17H18.2C2H6/c1-14-8-3-5-10-16(14)12-7-13-17-11-6-4-9-15(17)2;2*1-2/h3-12H,13H2,1-2H3;2*1-2H3/b12-7+;;.
What are the key properties of ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene?
ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene has a molecular weight of 282.47 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 163273816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).