1-ethenyl-3-(1-methoxypropan-2-yl)benzene

C12H16O — CID 22712634

IUPAC1-ethenyl-3-(1-methoxypropan-2-yl)benzene
SMILESC=Cc1cccc(C(C)COC)c1
InChIInChI=1S/C12H16O/c1-4-11-6-5-7-12(8-11)10(2)9-13-3/h4-8,10H,1,9H2,2-3H3
InChIKeyYCQMYOJTPAWTEN-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.08
Rot. Bonds4

About 1-ethenyl-3-(1-methoxypropan-2-yl)benzene

1-ethenyl-3-(1-methoxypropan-2-yl)benzene (PubChem CID 22712634) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethenyl-3-(1-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-(1-methoxypropan-2-yl)benzene
PubChem CID22712634
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-ethenyl-3-(1-methoxypropan-2-yl)benzene
SMILESC=Cc1cccc(C(C)COC)c1
InChIInChI=1S/C12H16O/c1-4-11-6-5-7-12(8-11)10(2)9-13-3/h4-8,10H,1,9H2,2-3H3
InChIKeyYCQMYOJTPAWTEN-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(1-methoxypropan-2-yl)benzene?
The IUPAC name of 1-ethenyl-3-(1-methoxypropan-2-yl)benzene (CID 22712634) is 1-ethenyl-3-(1-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-ethenyl-3-(1-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-ethenyl-3-(1-methoxypropan-2-yl)benzene is C=Cc1cccc(C(C)COC)c1.
What is the InChIKey of 1-ethenyl-3-(1-methoxypropan-2-yl)benzene?
The InChIKey is YCQMYOJTPAWTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-11-6-5-7-12(8-11)10(2)9-13-3/h4-8,10H,1,9H2,2-3H3.
What are the key properties of 1-ethenyl-3-(1-methoxypropan-2-yl)benzene?
1-ethenyl-3-(1-methoxypropan-2-yl)benzene has a molecular weight of 176.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(1-methoxypropan-2-yl)benzene is sourced from PubChem (CID 22712634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).