1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene

C12H16O — CID 578552

IUPAC1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
SMILESC=CC(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C12H16O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h5-9H,1H2,2-4H3
InChIKeyIEIGJNDXERYFDG-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.34
Rot. Bonds3

About 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene

1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene (PubChem CID 578552) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
PubChem CID578552
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
SMILESC=CC(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C12H16O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h5-9H,1H2,2-4H3
InChIKeyIEIGJNDXERYFDG-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-methylpent-4-en-2-yloxy)benzene
CID 123423691
1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene
CID 54576385
2-[4-(2-methylbut-3-en-2-yloxy)phenyl]acetonitrile
CID 139639178
N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide
CID 139639329
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-[4-(2-methylbut-3-en-2-yloxy)phenyl]heptan-1-one
CID 139638747
hexyl 4-(2-methylbut-3-en-2-yloxy)benzenesulfonate
CID 139638858
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide
CID 139638959

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene?
The IUPAC name of 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene (CID 578552) is 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene.
What is the SMILES notation for 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene?
The canonical SMILES for 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene is C=CC(C)(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene?
The InChIKey is IEIGJNDXERYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h5-9H,1H2,2-4H3.
What are the key properties of 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene?
1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene has a molecular weight of 176.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene is sourced from PubChem (CID 578552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).