4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol

C16H20O2 — CID 54969805

IUPAC4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccccc1COC1CCCC1
InChIInChI=1S/C16H20O2/c17-12-6-5-8-14-7-1-2-9-15(14)13-18-16-10-3-4-11-16/h1-2,7,9,16-17H,3-4,6,10-13H2
InChIKeyBZGQXIGVKHFXJG-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.88
Rot. Bonds4

About 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol

4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol (PubChem CID 54969805) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
PubChem CID54969805
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccccc1COC1CCCC1
InChIInChI=1S/C16H20O2/c17-12-6-5-8-14-7-1-2-9-15(14)13-18-16-10-3-4-11-16/h1-2,7,9,16-17H,3-4,6,10-13H2
InChIKeyBZGQXIGVKHFXJG-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol (CID 54969805) is 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol is OCCC#Cc1ccccc1COC1CCCC1.
What is the InChIKey of 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol?
The InChIKey is BZGQXIGVKHFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-12-6-5-8-14-7-1-2-9-15(14)13-18-16-10-3-4-11-16/h1-2,7,9,16-17H,3-4,6,10-13H2.
What are the key properties of 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol?
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol has a molecular weight of 244.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 54969805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).