4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione

C17H20O5 — CID 71601856

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
SMILESCOc1ccc(C2CC(=O)OC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H20O5/c1-20-14-7-6-11(12-9-16(18)22-17(19)10-12)8-15(14)21-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3
InChIKeyHRYVAUWVBZPVCQ-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.96
Rot. Bonds4

About 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione

4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione (PubChem CID 71601856) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
PubChem CID71601856
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
SMILESCOc1ccc(C2CC(=O)OC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H20O5/c1-20-14-7-6-11(12-9-16(18)22-17(19)10-12)8-15(14)21-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3
InChIKeyHRYVAUWVBZPVCQ-UHFFFAOYSA-N
XLogP2.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylidene]piperidin-2-one
CID 67536516
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)piperidin-2-one
CID 67536494
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
CID 11778917
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione (CID 71601856) is 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione is COc1ccc(C2CC(=O)OC(=O)C2)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione?
The InChIKey is HRYVAUWVBZPVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-20-14-7-6-11(12-9-16(18)22-17(19)10-12)8-15(14)21-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3.
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione?
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione has a molecular weight of 304.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione is sourced from PubChem (CID 71601856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).