2-tert-butyl-1-but-3-ynoxy-4-methylbenzene

C15H20O — CID 63656034

IUPAC2-tert-butyl-1-but-3-ynoxy-4-methylbenzene
SMILESC#CCCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C15H20O/c1-6-7-10-16-14-9-8-12(2)11-13(14)15(3,4)5/h1,8-9,11H,7,10H2,2-5H3
InChIKeyUVIBASRDMOOEQD-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.69
Rot. Bonds3

About 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene

2-tert-butyl-1-but-3-ynoxy-4-methylbenzene (PubChem CID 63656034) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1-but-3-ynoxy-4-methylbenzene
PubChem CID63656034
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-tert-butyl-1-but-3-ynoxy-4-methylbenzene
SMILESC#CCCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C15H20O/c1-6-7-10-16-14-9-8-12(2)11-13(14)15(3,4)5/h1,8-9,11H,7,10H2,2-5H3
InChIKeyUVIBASRDMOOEQD-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851
(2-but-3-ynoxy-5-methylphenyl)methanamine
CID 63322863
1-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
1-(2-but-3-ynoxy-5-methylphenyl)ethanone
CID 43504869
2-but-3-ynoxy-5-methylbenzoic acid
CID 61379839
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
3-(2-tert-butyl-4-methylphenoxy)-N-propylpropan-1-amine
CID 29016016
2-tert-butyl-5-but-3-ynoxyphenol
CID 54288399
5-bromo-2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzonitrile
CID 20987774
butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium
CID 2262501
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene?
The IUPAC name of 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene (CID 63656034) is 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene.
What is the SMILES notation for 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene?
The canonical SMILES for 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene is C#CCCOc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene?
The InChIKey is UVIBASRDMOOEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-6-7-10-16-14-9-8-12(2)11-13(14)15(3,4)5/h1,8-9,11H,7,10H2,2-5H3.
What are the key properties of 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene?
2-tert-butyl-1-but-3-ynoxy-4-methylbenzene has a molecular weight of 216.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-but-3-ynoxy-4-methylbenzene is sourced from PubChem (CID 63656034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).