3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol

C16H20O2 — CID 106203857

IUPAC3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C16H20O2/c17-11-2-5-15-6-8-16(9-7-15)13-18-12-10-14-3-1-4-14/h6-9,14,17H,1,3-4,10-13H2
InChIKeyPTLSKUVDWOLGIR-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.74
Rot. Bonds5

About 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol

3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 106203857) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID106203857
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C16H20O2/c17-11-2-5-15-6-8-16(9-7-15)13-18-12-10-14-3-1-4-14/h6-9,14,17H,1,3-4,10-13H2
InChIKeyPTLSKUVDWOLGIR-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.74
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

1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
4-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199345
3-[4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448621
3-[4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 55125764
4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol
CID 106203848
3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 65458406
3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
CID 54970199
2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
CID 106203749
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559
4-[4-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383035
[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024
4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol
CID 54970249

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol (CID 106203857) is 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(COCCC2CCC2)cc1.
What is the InChIKey of 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is PTLSKUVDWOLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-11-2-5-15-6-8-16(9-7-15)13-18-12-10-14-3-1-4-14/h6-9,14,17H,1,3-4,10-13H2.
What are the key properties of 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol?
3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 244.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 106203857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).