1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone

C15H20O3 — CID 23033550

IUPAC1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone
SMILESCOCOC1CCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H20O3/c1-17-11-18-14-8-7-13(10-14)15(16)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyBUUJQIQVEZXVGI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.59
Rot. Bonds6

About 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone

1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone (PubChem CID 23033550) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone
PubChem CID23033550
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone
SMILESCOCOC1CCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H20O3/c1-17-11-18-14-8-7-13(10-14)15(16)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyBUUJQIQVEZXVGI-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone?
The IUPAC name of 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone (CID 23033550) is 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone?
The canonical SMILES for 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone is COCOC1CCC(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone?
The InChIKey is BUUJQIQVEZXVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-11-18-14-8-7-13(10-14)15(16)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone?
1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone has a molecular weight of 248.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone is sourced from PubChem (CID 23033550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).