ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene

C19H24 — CID 90727526

IUPACethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(C)c(-c2ccccc2C)c1.CC
InChIInChI=1S/C17H18.C2H6/c1-4-7-15-11-10-14(3)17(12-15)16-9-6-5-8-13(16)2;1-2/h4-12H,1-3H3;1-2H3/b7-4+;
InChIKeyJCNVSDVHCAPOFC-KQGICBIGSA-N
MW252.40 g/mol
LogP6.03
Rot. Bonds2

About ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene

ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene (PubChem CID 90727526) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
PubChem CID90727526
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Nameethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(C)c(-c2ccccc2C)c1.CC
InChIInChI=1S/C17H18.C2H6/c1-4-7-15-11-10-14(3)17(12-15)16-9-6-5-8-13(16)2;1-2/h4-12H,1-3H3;1-2H3/b7-4+;
InChIKeyJCNVSDVHCAPOFC-KQGICBIGSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 59774135
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
3-[(Z)-prop-1-enyl]-9H-fluorene
CID 173081579
4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene
CID 145204136
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
CID 143613494
CID 143613494
2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene
CID 152732613
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene (CID 90727526) is ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(C)c(-c2ccccc2C)c1.CC.
What is the InChIKey of ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene?
The InChIKey is JCNVSDVHCAPOFC-KQGICBIGSA-N. The full InChI is InChI=1S/C17H18.C2H6/c1-4-7-15-11-10-14(3)17(12-15)16-9-6-5-8-13(16)2;1-2/h4-12H,1-3H3;1-2H3/b7-4+;.
What are the key properties of ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene?
ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene has a molecular weight of 252.40 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 90727526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).