2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene

C25H28O2 — CID 20724148

IUPAC2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene
SMILESC(#Cc1ccc2c(c1)CCC(OCOC1CCCCC1)C2)c1ccccc1
InChIInChI=1S/C25H28O2/c1-3-7-20(8-4-1)11-12-21-13-14-23-18-25(16-15-22(23)17-21)27-19-26-24-9-5-2-6-10-24/h1,3-4,7-8,13-14,17,24-25H,2,5-6,9-10,15-16,18-19H2
InChIKeyPULHFWHFKDIPTI-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.27
Rot. Bonds4

About 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene

2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 20724148) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID20724148
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene
SMILESC(#Cc1ccc2c(c1)CCC(OCOC1CCCCC1)C2)c1ccccc1
InChIInChI=1S/C25H28O2/c1-3-7-20(8-4-1)11-12-21-13-14-23-18-25(16-15-22(23)17-21)27-19-26-24-9-5-2-6-10-24/h1,3-4,7-8,13-14,17,24-25H,2,5-6,9-10,15-16,18-19H2
InChIKeyPULHFWHFKDIPTI-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene (CID 20724148) is 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene is C(#Cc1ccc2c(c1)CCC(OCOC1CCCCC1)C2)c1ccccc1.
What is the InChIKey of 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PULHFWHFKDIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-3-7-20(8-4-1)11-12-21-13-14-23-18-25(16-15-22(23)17-21)27-19-26-24-9-5-2-6-10-24/h1,3-4,7-8,13-14,17,24-25H,2,5-6,9-10,15-16,18-19H2.
What are the key properties of 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene?
2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 360.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 20724148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).