2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

C18H25ClO2 — CID 79909726

IUPAC2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25ClO2/c19-16-6-4-5-14(11-16)12-17(20)15-7-10-21-18(13-15)8-2-1-3-9-18/h4-6,11,15,17,20H,1-3,7-10,12-13H2
InChIKeyFOCSYZAZXZZFTJ-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.37
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79909726) has the molecular formula C18H25ClO2 and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79909726
Molecular FormulaC18H25ClO2
Molecular Weight308.85 g/mol
Exact Mass308.15
IUPAC Name2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25ClO2/c19-16-6-4-5-14(11-16)12-17(20)15-7-10-21-18(13-15)8-2-1-3-9-18/h4-6,11,15,17,20H,1-3,7-10,12-13H2
InChIKeyFOCSYZAZXZZFTJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112683
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79909984
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
2-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79908148
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 105116183

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (CID 79909726) is 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is OC(Cc1cccc(Cl)c1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is FOCSYZAZXZZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO2/c19-16-6-4-5-14(11-16)12-17(20)15-7-10-21-18(13-15)8-2-1-3-9-18/h4-6,11,15,17,20H,1-3,7-10,12-13H2.
What are the key properties of 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 308.85 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79909726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).