1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene

C12H16O2 — CID 72701251

IUPAC1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene
SMILESC=CC(C)(C)Oc1ccccc1OC
InChIInChI=1S/C12H16O2/c1-5-12(2,3)14-11-9-7-6-8-10(11)13-4/h5-9H,1H2,2-4H3
InChIKeyWCZYOOATFHJSNL-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.04
Rot. Bonds4

About 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene

1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene (PubChem CID 72701251) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene
PubChem CID72701251
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene
SMILESC=CC(C)(C)Oc1ccccc1OC
InChIInChI=1S/C12H16O2/c1-5-12(2,3)14-11-9-7-6-8-10(11)13-4/h5-9H,1H2,2-4H3
InChIKeyWCZYOOATFHJSNL-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510
1-but-3-enoxy-2-methoxybenzene
CID 56629510
ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
CID 139576190
1-amino-2-(2-methoxyphenoxy)propan-2-ol
CID 21327365
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methoxybenzene
CID 102642148
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine
CID 57164596
5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol
CID 10104442
CID 175360546
CID 175360546

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene?
The IUPAC name of 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene (CID 72701251) is 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene.
What is the SMILES notation for 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene?
The canonical SMILES for 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene is C=CC(C)(C)Oc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene?
The InChIKey is WCZYOOATFHJSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-12(2,3)14-11-9-7-6-8-10(11)13-4/h5-9H,1H2,2-4H3.
What are the key properties of 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene?
1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene has a molecular weight of 192.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene is sourced from PubChem (CID 72701251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).