2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol

C17H23ClO3 — CID 105116183

IUPAC2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23ClO3/c18-14-3-5-15(6-4-14)20-12-16(19)13-7-10-21-17(11-13)8-1-2-9-17/h3-6,13,16,19H,1-2,7-12H2
InChIKeyPYWDPKXGMZZCRQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol

2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (PubChem CID 105116183) has the molecular formula C17H23ClO3 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
PubChem CID105116183
Molecular FormulaC17H23ClO3
Molecular Weight310.82 g/mol
Exact Mass310.13
IUPAC Name2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23ClO3/c18-14-3-5-15(6-4-14)20-12-16(19)13-7-10-21-17(11-13)8-1-2-9-17/h3-6,13,16,19H,1-2,7-12H2
InChIKeyPYWDPKXGMZZCRQ-UHFFFAOYSA-N
XLogP3.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112683
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
CID 117237460
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
[2-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105197807

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (CID 105116183) is 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is OC(COc1ccc(Cl)cc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is PYWDPKXGMZZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO3/c18-14-3-5-15(6-4-14)20-12-16(19)13-7-10-21-17(11-13)8-1-2-9-17/h3-6,13,16,19H,1-2,7-12H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 310.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 105116183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).