1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

C13H18O — CID 67824410

IUPAC1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=Cc1cccc(C)c1OC(C)(C)C
InChIInChI=1S/C13H18O/c1-6-11-9-7-8-10(2)12(11)14-13(3,4)5/h6-9H,1H2,2-5H3
InChIKeyNFCSPLMKCAKIFH-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.82
Rot. Bonds2

About 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 67824410) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID67824410
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=Cc1cccc(C)c1OC(C)(C)C
InChIInChI=1S/C13H18O/c1-6-11-9-7-8-10(2)12(11)14-13(3,4)5/h6-9H,1H2,2-5H3
InChIKeyNFCSPLMKCAKIFH-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene (CID 67824410) is 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene is C=Cc1cccc(C)c1OC(C)(C)C.
What is the InChIKey of 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is NFCSPLMKCAKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-6-11-9-7-8-10(2)12(11)14-13(3,4)5/h6-9H,1H2,2-5H3.
What are the key properties of 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 67824410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).