ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene

C20H28O — CID 145480510

IUPACethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene
SMILESC=Cc1cccc(OC)c1-c1ccc(C)cc1.CC.CC
InChIInChI=1S/C16H16O.2C2H6/c1-4-13-6-5-7-15(17-3)16(13)14-10-8-12(2)9-11-14;2*1-2/h4-11H,1H2,2-3H3;2*1-2H3
InChIKeyGBGGWDUYFIELHW-UHFFFAOYSA-N
MW284.44 g/mol
LogP6.37
Rot. Bonds3

About ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene

ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene (PubChem CID 145480510) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Nameethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene
PubChem CID145480510
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Nameethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene
SMILESC=Cc1cccc(OC)c1-c1ccc(C)cc1.CC.CC
InChIInChI=1S/C16H16O.2C2H6/c1-4-13-6-5-7-15(17-3)16(13)14-10-8-12(2)9-11-14;2*1-2/h4-11H,1H2,2-3H3;2*1-2H3
InChIKeyGBGGWDUYFIELHW-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene?
The IUPAC name of ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene (CID 145480510) is ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene.
What is the SMILES notation for ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene?
The canonical SMILES for ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene is C=Cc1cccc(OC)c1-c1ccc(C)cc1.CC.CC.
What is the InChIKey of ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene?
The InChIKey is GBGGWDUYFIELHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.2C2H6/c1-4-13-6-5-7-15(17-3)16(13)14-10-8-12(2)9-11-14;2*1-2/h4-11H,1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene?
ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene has a molecular weight of 284.44 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene is sourced from PubChem (CID 145480510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).