1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene

C14H18O — CID 83933680

IUPAC1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene
SMILESC#CC(C)Cc1cc(C)ccc1OCC
InChIInChI=1S/C14H18O/c1-5-11(3)9-13-10-12(4)7-8-14(13)15-6-2/h1,7-8,10-11H,6,9H2,2-4H3
InChIKeyZBSCAEKMABOJHL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.21
Rot. Bonds4

About 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene

1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene (PubChem CID 83933680) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene
PubChem CID83933680
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene
SMILESC#CC(C)Cc1cc(C)ccc1OCC
InChIInChI=1S/C14H18O/c1-5-11(3)9-13-10-12(4)7-8-14(13)15-6-2/h1,7-8,10-11H,6,9H2,2-4H3
InChIKeyZBSCAEKMABOJHL-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.21
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

1-chloro-2,4-diethoxy-5-(2-methylbut-3-ynyl)benzene
CID 83943457
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
1,2-diethoxy-4-fluoro-5-(2-methylbut-3-ynyl)benzene
CID 83923128
3-(2-ethoxy-5-methylphenyl)-2-methylpropanethioamide
CID 83933660
1-(5-methyl-2-prop-2-ynoxyphenyl)propan-2-amine
CID 63326075
4-chloro-2-(2-methylbut-3-ynyl)-1-propoxybenzene
CID 83933419
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
CID 118359593
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
CID 143611312
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene?
The IUPAC name of 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene (CID 83933680) is 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene.
What is the SMILES notation for 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene?
The canonical SMILES for 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene is C#CC(C)Cc1cc(C)ccc1OCC.
What is the InChIKey of 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene?
The InChIKey is ZBSCAEKMABOJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-11(3)9-13-10-12(4)7-8-14(13)15-6-2/h1,7-8,10-11H,6,9H2,2-4H3.
What are the key properties of 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene?
1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene has a molecular weight of 202.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene is sourced from PubChem (CID 83933680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).