1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene

C12H14O2 — CID 11830222

IUPAC1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
SMILESC#CC(C)(C)Oc1ccc(OC)cc1
InChIInChI=1S/C12H14O2/c1-5-12(2,3)14-11-8-6-10(13-4)7-9-11/h1,6-9H,2-4H3
InChIKeyXHHBCKKZCMYUIE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.49
Rot. Bonds3

About 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene

1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene (PubChem CID 11830222) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
PubChem CID11830222
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
SMILESC#CC(C)(C)Oc1ccc(OC)cc1
InChIInChI=1S/C12H14O2/c1-5-12(2,3)14-11-8-6-10(13-4)7-9-11/h1,6-9H,2-4H3
InChIKeyXHHBCKKZCMYUIE-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 13222886
4-(2-methylbut-3-yn-2-yloxy)benzaldehyde
CID 11137874
2-(4-methoxyphenoxy)-2-methylpropanoate
CID 7645712
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
CID 148766498
1-bromo-3-(2-methylbut-3-yn-2-yloxy)benzene
CID 123898528
1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
CID 82089720
1-[4-[4-[1-hydroxy-1-(4-methoxyphenyl)prop-2-ynyl]phenyl]phenyl]-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 169006869
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium
CID 23419504
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
5-methoxy-7-(2-methylbut-3-yn-2-yloxy)chromen-2-one
CID 11322860
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene?
The IUPAC name of 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene (CID 11830222) is 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene.
What is the SMILES notation for 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene?
The canonical SMILES for 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene is C#CC(C)(C)Oc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene?
The InChIKey is XHHBCKKZCMYUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-5-12(2,3)14-11-8-6-10(13-4)7-9-11/h1,6-9H,2-4H3.
What are the key properties of 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene?
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene has a molecular weight of 190.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene is sourced from PubChem (CID 11830222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).