4-(4-propoxyphenyl)but-3-yn-1-ol

C13H16O2 — CID 60800610

IUPAC4-(4-propoxyphenyl)but-3-yn-1-ol
SMILESCCCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C13H16O2/c1-2-11-15-13-8-6-12(7-9-13)5-3-4-10-14/h6-9,14H,2,4,10-11H2,1H3
InChIKeyUIXNRUFONSKSTH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.21
Rot. Bonds4

About 4-(4-propoxyphenyl)but-3-yn-1-ol

4-(4-propoxyphenyl)but-3-yn-1-ol (PubChem CID 60800610) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-propoxyphenyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(4-propoxyphenyl)but-3-yn-1-ol
PubChem CID60800610
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-(4-propoxyphenyl)but-3-yn-1-ol
SMILESCCCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C13H16O2/c1-2-11-15-13-8-6-12(7-9-13)5-3-4-10-14/h6-9,14H,2,4,10-11H2,1H3
InChIKeyUIXNRUFONSKSTH-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
4-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 66224702
1-butoxy-4-[2-(4-oct-1-ynylphenyl)ethynyl]benzene
CID 67827476
2-[4-(4-chlorobut-1-ynyl)phenoxy]ethanol
CID 170468023
4-[4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]phenyl]but-3-yn-1-ol
CID 62337947
4-[3-(2-propoxyethoxy)phenyl]but-3-yn-1-ol
CID 54974912
4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 61494796
1-hexoxy-4-[2-(4-hex-1-ynylphenyl)ethynyl]benzene
CID 67827311
2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide
CID 103104040
4-(3-butoxy-5-fluorophenyl)but-3-yn-1-ol
CID 81325741
3,6-bis[2-(4-propoxyphenyl)ethynyl]pyridazine
CID 19984891
4-[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 62351286

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenyl)but-3-yn-1-ol?
The IUPAC name of 4-(4-propoxyphenyl)but-3-yn-1-ol (CID 60800610) is 4-(4-propoxyphenyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(4-propoxyphenyl)but-3-yn-1-ol?
The canonical SMILES for 4-(4-propoxyphenyl)but-3-yn-1-ol is CCCOc1ccc(C#CCCO)cc1.
What is the InChIKey of 4-(4-propoxyphenyl)but-3-yn-1-ol?
The InChIKey is UIXNRUFONSKSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-11-15-13-8-6-12(7-9-13)5-3-4-10-14/h6-9,14H,2,4,10-11H2,1H3.
What are the key properties of 4-(4-propoxyphenyl)but-3-yn-1-ol?
4-(4-propoxyphenyl)but-3-yn-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenyl)but-3-yn-1-ol is sourced from PubChem (CID 60800610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).