(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C14H18Cl2O2S — CID 107969804

IUPAC(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cc(Cl)sc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18Cl2O2S/c15-11-7-10(13(16)19-11)12(17)9-3-6-18-14(8-9)4-1-2-5-14/h7,9,12,17H,1-6,8H2
InChIKeyQVGLADWUUAQSSU-UHFFFAOYSA-N
MW321.27 g/mol
LogP4.83
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 107969804) has the molecular formula C14H18Cl2O2S and a molecular weight of 321.27 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID107969804
Molecular FormulaC14H18Cl2O2S
Molecular Weight321.27 g/mol
Exact Mass320.04
IUPAC Name(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cc(Cl)sc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18Cl2O2S/c15-11-7-10(13(16)19-11)12(17)9-3-6-18-14(8-9)4-1-2-5-14/h7,9,12,17H,1-6,8H2
InChIKeyQVGLADWUUAQSSU-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107968699
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107970487
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 107969804) is (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1cc(Cl)sc1Cl)C1CCOC2(CCCC2)C1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is QVGLADWUUAQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2S/c15-11-7-10(13(16)19-11)12(17)9-3-6-18-14(8-9)4-1-2-5-14/h7,9,12,17H,1-6,8H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 321.27 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 107969804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).