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

C15H20O — CID 55248880

IUPAC4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
SMILESC#CCCOc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C15H20O/c1-6-7-10-16-14-9-8-13(11-12(14)2)15(3,4)5/h1,8-9,11H,7,10H2,2-5H3
InChIKeyHLNWVGHQCHVCJO-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.69
Rot. Bonds3

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

4-tert-butyl-1-but-3-ynoxy-2-methylbenzene (PubChem CID 55248880) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene.

Molecular Properties

Compound Name4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
PubChem CID55248880
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
SMILESC#CCCOc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C15H20O/c1-6-7-10-16-14-9-8-13(11-12(14)2)15(3,4)5/h1,8-9,11H,7,10H2,2-5H3
InChIKeyHLNWVGHQCHVCJO-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-but-3-ynoxy-3-methylbenzoic acid
CID 106794680
2-tert-butyl-1-but-3-ynoxy-4-methylbenzene
CID 63656034
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
4-tert-butyl-1-[40-(4-tert-butyl-2-ethynylphenoxy)tetracontoxy]-2-ethynylbenzene
CID 11643656
2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
CID 64806676
N-[3-(4-tert-butyl-2-methylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2297128
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]piperidin-1-ium
CID 7381548
butyl-[2-(4-tert-butyl-2-methylphenoxy)ethyl]azanium
CID 2580791
4-but-3-ynoxy-2,5-dimethylbenzenesulfonyl chloride
CID 82910392

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene?
The IUPAC name of 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene (CID 55248880) is 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene.
What is the SMILES notation for 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene?
The canonical SMILES for 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene is C#CCCOc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene?
The InChIKey is HLNWVGHQCHVCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-6-7-10-16-14-9-8-13(11-12(14)2)15(3,4)5/h1,8-9,11H,7,10H2,2-5H3.
What are the key properties of 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene?
4-tert-butyl-1-but-3-ynoxy-2-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 4-tert-butyl-1-but-3-ynoxy-2-methylbenzene is sourced from PubChem (CID 55248880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).