2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol

C16H21ClO3 — CID 105112683

IUPAC2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
SMILESOC(COc1cccc(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21ClO3/c17-13-3-1-4-14(9-13)19-11-15(18)12-5-8-20-16(10-12)6-2-7-16/h1,3-4,9,12,15,18H,2,5-8,10-11H2
InChIKeyMTIWMXKFXMWNFF-UHFFFAOYSA-N
MW296.79 g/mol
LogP3.43
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol

2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol (PubChem CID 105112683) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
PubChem CID105112683
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
SMILESOC(COc1cccc(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21ClO3/c17-13-3-1-4-14(9-13)19-11-15(18)12-5-8-20-16(10-12)6-2-7-16/h1,3-4,9,12,15,18H,2,5-8,10-11H2
InChIKeyMTIWMXKFXMWNFF-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 105116183
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 105119071
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
CID 105103670
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
CID 105010167
[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105238010

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol (CID 105112683) is 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol is OC(COc1cccc(Cl)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The InChIKey is MTIWMXKFXMWNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c17-13-3-1-4-14(9-13)19-11-15(18)12-5-8-20-16(10-12)6-2-7-16/h1,3-4,9,12,15,18H,2,5-8,10-11H2.
What are the key properties of 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol has a molecular weight of 296.79 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol is sourced from PubChem (CID 105112683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).