2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol

C16H20Cl2O3 — CID 79909984

IUPAC2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H20Cl2O3/c17-13-2-1-11(7-14(13)18)8-15(19)12-3-5-21-16(9-12)4-6-20-10-16/h1-2,7,12,15,19H,3-6,8-10H2
InChIKeyXUOWJDOBGJEXSL-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.48
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol

2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79909984) has the molecular formula C16H20Cl2O3 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
PubChem CID79909984
Molecular FormulaC16H20Cl2O3
Molecular Weight331.24 g/mol
Exact Mass330.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H20Cl2O3/c17-13-2-1-11(7-14(13)18)8-15(19)12-3-5-21-16(9-12)4-6-20-10-16/h1-2,7,12,15,19H,3-6,8-10H2
InChIKeyXUOWJDOBGJEXSL-UHFFFAOYSA-N
XLogP3.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
CID 105116440
2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79914830
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79923466

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol (CID 79909984) is 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is XUOWJDOBGJEXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O3/c17-13-2-1-11(7-14(13)18)8-15(19)12-3-5-21-16(9-12)4-6-20-10-16/h1-2,7,12,15,19H,3-6,8-10H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 331.24 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79909984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).