4-but-3-ynoxyphenol

C10H10O2 — CID 43143414

IUPAC4-but-3-ynoxyphenol
SMILESC#CCCOc1ccc(O)cc1
InChIInChI=1S/C10H10O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h1,4-7,11H,3,8H2
InChIKeyOLBRQAZCEOKOKT-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.79
Rot. Bonds3

About 4-but-3-ynoxyphenol

4-but-3-ynoxyphenol (PubChem CID 43143414) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-but-3-ynoxyphenol.

Molecular Properties

Compound Name4-but-3-ynoxyphenol
PubChem CID43143414
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-but-3-ynoxyphenol
SMILESC#CCCOc1ccc(O)cc1
InChIInChI=1S/C10H10O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h1,4-7,11H,3,8H2
InChIKeyOLBRQAZCEOKOKT-UHFFFAOYSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-oct-7-ynoxyphenol
CID 166068897
1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
1-but-3-ynoxy-4-(trifluoromethoxy)benzene
CID 115777016
2-tert-butyl-5-but-3-ynoxyphenol
CID 54288399
1-but-3-ynoxy-4-propylbenzene
CID 63654834
1-pent-4-ynoxy-4-(4-pent-4-ynoxyphenyl)benzene
CID 71601135
4-but-3-ynoxy-1,2-difluorobenzene
CID 63656648
5-but-3-ynoxy-2-methylpyridine
CID 130668166
2-bromo-5-but-3-ynoxypyridine
CID 103864136
1-chloro-4-pent-4-ynoxybenzene
CID 15045663
1-(5-but-3-ynoxy-2-pyridinyl)ethanone
CID 106795026

Frequently Asked Questions

What is the IUPAC name of 4-but-3-ynoxyphenol?
The IUPAC name of 4-but-3-ynoxyphenol (CID 43143414) is 4-but-3-ynoxyphenol.
What is the SMILES notation for 4-but-3-ynoxyphenol?
The canonical SMILES for 4-but-3-ynoxyphenol is C#CCCOc1ccc(O)cc1.
What is the InChIKey of 4-but-3-ynoxyphenol?
The InChIKey is OLBRQAZCEOKOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h1,4-7,11H,3,8H2.
What are the key properties of 4-but-3-ynoxyphenol?
4-but-3-ynoxyphenol has a molecular weight of 162.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-ynoxyphenol is sourced from PubChem (CID 43143414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).