2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane

C20H26O3 — CID 167134913

IUPAC2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane
SMILESCOCc1cccc(C#CC2(OC3CCCCO3)CCCC2)c1
InChIInChI=1S/C20H26O3/c1-21-16-18-8-6-7-17(15-18)10-13-20(11-3-4-12-20)23-19-9-2-5-14-22-19/h6-8,15,19H,2-5,9,11-12,14,16H2,1H3
InChIKeyQIZGOOXUXFKHHI-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.04
Rot. Bonds4

About 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane

2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane (PubChem CID 167134913) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane.

Molecular Properties

Compound Name2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane
PubChem CID167134913
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane
SMILESCOCc1cccc(C#CC2(OC3CCCCO3)CCCC2)c1
InChIInChI=1S/C20H26O3/c1-21-16-18-8-6-7-17(15-18)10-13-20(11-3-4-12-20)23-19-9-2-5-14-22-19/h6-8,15,19H,2-5,9,11-12,14,16H2,1H3
InChIKeyQIZGOOXUXFKHHI-UHFFFAOYSA-N
XLogP4.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(methoxymethyl)phenyl]-2-methylbut-3-yn-2-yl]oxyoxane
CID 167135359
2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658
(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol
CID 15450471
2-[1-[4-[1-(oxan-2-yloxy)-4-propylcyclohexyl]buta-1,3-diynyl]-4-propylcyclohexyl]oxyoxane
CID 59309325
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane
CID 174264663
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane?
The IUPAC name of 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane (CID 167134913) is 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane.
What is the SMILES notation for 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane?
The canonical SMILES for 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane is COCc1cccc(C#CC2(OC3CCCCO3)CCCC2)c1.
What is the InChIKey of 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane?
The InChIKey is QIZGOOXUXFKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-21-16-18-8-6-7-17(15-18)10-13-20(11-3-4-12-20)23-19-9-2-5-14-22-19/h6-8,15,19H,2-5,9,11-12,14,16H2,1H3.
What are the key properties of 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane?
2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane has a molecular weight of 314.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane is sourced from PubChem (CID 167134913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).