2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene

C14H18O — CID 83941963

IUPAC2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene
SMILESC#CC(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C14H18O/c1-6-10(2)8-13-9-11(3)7-12(4)14(13)15-5/h1,7,9-10H,8H2,2-5H3
InChIKeyGYXZAQVHVJSZQR-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.12
Rot. Bonds3

About 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene

2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene (PubChem CID 83941963) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene.

Molecular Properties

Compound Name2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene
PubChem CID83941963
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene
SMILESC#CC(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C14H18O/c1-6-10(2)8-13-9-11(3)7-12(4)14(13)15-5/h1,7,9-10H,8H2,2-5H3
InChIKeyGYXZAQVHVJSZQR-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropane-1-thiol
CID 83941900
1-but-3-ynyl-2-methoxy-3,5-dimethylbenzene
CID 83941962
1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine
CID 82262565
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol
CID 83941920
ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 82351880
1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene
CID 83933680
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
1-methyl-2-(2-methylbut-3-ynyl)benzene
CID 123657846
1-chloro-2,4-dimethoxy-5-(2-methylbut-3-ynyl)benzene
CID 83943337
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137616

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene?
The IUPAC name of 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene (CID 83941963) is 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene.
What is the SMILES notation for 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene?
The canonical SMILES for 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene is C#CC(C)Cc1cc(C)cc(C)c1OC.
What is the InChIKey of 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene?
The InChIKey is GYXZAQVHVJSZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-6-10(2)8-13-9-11(3)7-12(4)14(13)15-5/h1,7,9-10H,8H2,2-5H3.
What are the key properties of 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene?
2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene has a molecular weight of 202.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene is sourced from PubChem (CID 83941963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).