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

C16H20O2 — CID 54969756

IUPAC3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1COC1CCCCC1
InChIInChI=1S/C16H20O2/c17-12-6-9-14-7-4-5-8-15(14)13-18-16-10-2-1-3-11-16/h4-5,7-8,16-17H,1-3,10-13H2
InChIKeyVJBWGTSJUZSQBN-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.88
Rot. Bonds3

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

3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 54969756) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID54969756
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1COC1CCCCC1
InChIInChI=1S/C16H20O2/c17-12-6-9-14-7-4-5-8-15(14)13-18-16-10-2-1-3-11-16/h4-5,7-8,16-17H,1-3,10-13H2
InChIKeyVJBWGTSJUZSQBN-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969852
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
CID 54969805
3-[2-(oxetan-3-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 102607267
3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol
CID 62383396
2-(cycloheptyloxymethyl)benzonitrile
CID 61069550
3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
CID 62141594
3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62141595
3-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 62141418
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448614
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol (CID 54969756) is 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol is OCC#Cc1ccccc1COC1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is VJBWGTSJUZSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-12-6-9-14-7-4-5-8-15(14)13-18-16-10-2-1-3-11-16/h4-5,7-8,16-17H,1-3,10-13H2.
What are the key properties of 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol?
3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 244.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54969756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).