2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone

C17H21ClO3 — CID 105119071

IUPAC2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(COc1cccc(Cl)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H21ClO3/c18-14-4-3-5-15(10-14)20-12-16(19)13-6-9-21-17(11-13)7-1-2-8-17/h3-5,10,13H,1-2,6-9,11-12H2
InChIKeyAGSLPENUMKKESS-UHFFFAOYSA-N
MW308.80 g/mol
LogP4.03
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone

2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone (PubChem CID 105119071) has the molecular formula C17H21ClO3 and a molecular weight of 308.80 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
PubChem CID105119071
Molecular FormulaC17H21ClO3
Molecular Weight308.80 g/mol
Exact Mass308.12
IUPAC Name2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(COc1cccc(Cl)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H21ClO3/c18-14-4-3-5-15(10-14)20-12-16(19)13-6-9-21-17(11-13)7-1-2-8-17/h3-5,10,13H,1-2,6-9,11-12H2
InChIKeyAGSLPENUMKKESS-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909435
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112683
(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
2-(3-chlorophenoxy)-1-(3-methylsulfonylcyclohexyl)ethanone
CID 105117657
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79912806
2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909417

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone (CID 105119071) is 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone is O=C(COc1cccc(Cl)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is AGSLPENUMKKESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO3/c18-14-4-3-5-15(10-14)20-12-16(19)13-6-9-21-17(11-13)7-1-2-8-17/h3-5,10,13H,1-2,6-9,11-12H2.
What are the key properties of 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 308.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 105119071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).