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

C17H22O2 — CID 106203848

IUPAC4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccccc1COCCC1CCC1
InChIInChI=1S/C17H22O2/c18-12-4-3-9-16-8-1-2-10-17(16)14-19-13-11-15-6-5-7-15/h1-2,8,10,15,18H,4-7,11-14H2
InChIKeyFKULQUHOMNOWRB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds6

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

4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol (PubChem CID 106203848) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol
PubChem CID106203848
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccccc1COCCC1CCC1
InChIInChI=1S/C17H22O2/c18-12-4-3-9-16-8-1-2-10-17(16)14-19-13-11-15-6-5-7-15/h1-2,8,10,15,18H,4-7,11-14H2
InChIKeyFKULQUHOMNOWRB-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
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

3-[2-(2-cyclopropylethoxymethyl)phenyl]prop-2-yn-1-amine
CID 114157743
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
CID 54969805
3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol
CID 62383396
4-[2-(2,2-difluoroethoxymethyl)phenyl]but-3-yn-1-ol
CID 82006810
4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol
CID 106203831
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
3-(2-cyclobutylethoxymethyl)-2-fluorobenzonitrile
CID 106201634
4-[5-(2-cyclopropylethoxymethyl)thiophen-2-yl]but-3-yn-1-ol
CID 114157752
4-[2-(cyclohexylmethoxymethyl)-5-fluorophenyl]but-3-yn-1-ol
CID 62383929
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
CID 106203857
3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969852

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol (CID 106203848) is 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol is OCCC#Cc1ccccc1COCCC1CCC1.
What is the InChIKey of 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol?
The InChIKey is FKULQUHOMNOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-12-4-3-9-16-8-1-2-10-17(16)14-19-13-11-15-6-5-7-15/h1-2,8,10,15,18H,4-7,11-14H2.
What are the key properties of 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol?
4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 106203848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).