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

C17H22O2 — CID 62383396

IUPAC3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1COCC1CCCCC1
InChIInChI=1S/C17H22O2/c18-12-6-11-16-9-4-5-10-17(16)14-19-13-15-7-2-1-3-8-15/h4-5,9-10,15,18H,1-3,7-8,12-14H2
InChIKeyZFVRMXJNQGJLHF-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds4

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

3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 62383396) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID62383396
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1COCC1CCCCC1
InChIInChI=1S/C17H22O2/c18-12-6-11-16-9-4-5-10-17(16)14-19-13-15-7-2-1-3-8-15/h4-5,9-10,15,18H,1-3,7-8,12-14H2
InChIKeyZFVRMXJNQGJLHF-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969756
3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969852
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62383927
4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol
CID 106203848
4-[2-(cyclohexylmethoxymethyl)-5-fluorophenyl]but-3-yn-1-ol
CID 62383929
3-[2-(oxetan-3-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 102607267
2-(cyclohexylmethoxymethyl)benzaldehyde
CID 91656697
3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448614
3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol
CID 54974909
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
CID 54969805
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
3-[2-(2-cyclopropylethoxymethyl)phenyl]prop-2-yn-1-amine
CID 114157743

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol (CID 62383396) is 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol is OCC#Cc1ccccc1COCC1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is ZFVRMXJNQGJLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-12-6-11-16-9-4-5-10-17(16)14-19-13-15-7-2-1-3-8-15/h4-5,9-10,15,18H,1-3,7-8,12-14H2.
What are the key properties of 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol?
3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 62383396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).