1-ethenyl-2-(2-methylpropoxy)benzene

C12H16O — CID 22475776

IUPAC1-ethenyl-2-(2-methylpropoxy)benzene
SMILESC=Cc1ccccc1OCC(C)C
InChIInChI=1S/C12H16O/c1-4-11-7-5-6-8-12(11)13-9-10(2)3/h4-8,10H,1,9H2,2-3H3
InChIKeyNHVXQKYMTJOPMZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.36
Rot. Bonds4

About 1-ethenyl-2-(2-methylpropoxy)benzene

1-ethenyl-2-(2-methylpropoxy)benzene (PubChem CID 22475776) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethenyl-2-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(2-methylpropoxy)benzene
PubChem CID22475776
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-ethenyl-2-(2-methylpropoxy)benzene
SMILESC=Cc1ccccc1OCC(C)C
InChIInChI=1S/C12H16O/c1-4-11-7-5-6-8-12(11)13-9-10(2)3/h4-8,10H,1,9H2,2-3H3
InChIKeyNHVXQKYMTJOPMZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-(2-methoxypentoxy)benzene
CID 173035288
CID 19763871
CID 19763871
N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine
CID 110507385
trimethyl-[2-[2-(2-methylpropoxy)phenyl]ethenoxy]silane
CID 68879621
1-ethenyl-2-heptadecoxybenzene
CID 139672731
1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite
CID 139384145
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 124605391
4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
CID 71111467
CID 71111467
1-ethenoxy-2-ethenylbenzene;propane
CID 166126256
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(2-methylpropoxy)benzene?
The IUPAC name of 1-ethenyl-2-(2-methylpropoxy)benzene (CID 22475776) is 1-ethenyl-2-(2-methylpropoxy)benzene.
What is the SMILES notation for 1-ethenyl-2-(2-methylpropoxy)benzene?
The canonical SMILES for 1-ethenyl-2-(2-methylpropoxy)benzene is C=Cc1ccccc1OCC(C)C.
What is the InChIKey of 1-ethenyl-2-(2-methylpropoxy)benzene?
The InChIKey is NHVXQKYMTJOPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-11-7-5-6-8-12(11)13-9-10(2)3/h4-8,10H,1,9H2,2-3H3.
What are the key properties of 1-ethenyl-2-(2-methylpropoxy)benzene?
1-ethenyl-2-(2-methylpropoxy)benzene has a molecular weight of 176.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(2-methylpropoxy)benzene is sourced from PubChem (CID 22475776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).