2-(1-methoxycyclopentyl)ethynylbenzene

C14H16O — CID 102163084

IUPAC2-(1-methoxycyclopentyl)ethynylbenzene
SMILESCOC1(C#Cc2ccccc2)CCCC1
InChIInChI=1S/C14H16O/c1-15-14(10-5-6-11-14)12-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,10-11H2,1H3
InChIKeyFNNOYLSJUVZYDJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.00
Rot. Bonds1

About 2-(1-methoxycyclopentyl)ethynylbenzene

2-(1-methoxycyclopentyl)ethynylbenzene (PubChem CID 102163084) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)ethynylbenzene.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)ethynylbenzene
PubChem CID102163084
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(1-methoxycyclopentyl)ethynylbenzene
SMILESCOC1(C#Cc2ccccc2)CCCC1
InChIInChI=1S/C14H16O/c1-15-14(10-5-6-11-14)12-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,10-11H2,1H3
InChIKeyFNNOYLSJUVZYDJ-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)ethynylbenzene?
The IUPAC name of 2-(1-methoxycyclopentyl)ethynylbenzene (CID 102163084) is 2-(1-methoxycyclopentyl)ethynylbenzene.
What is the SMILES notation for 2-(1-methoxycyclopentyl)ethynylbenzene?
The canonical SMILES for 2-(1-methoxycyclopentyl)ethynylbenzene is COC1(C#Cc2ccccc2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)ethynylbenzene?
The InChIKey is FNNOYLSJUVZYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-15-14(10-5-6-11-14)12-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,10-11H2,1H3.
What are the key properties of 2-(1-methoxycyclopentyl)ethynylbenzene?
2-(1-methoxycyclopentyl)ethynylbenzene has a molecular weight of 200.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)ethynylbenzene is sourced from PubChem (CID 102163084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).