(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C15H18Cl2O2S — CID 79899757

IUPAC(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H18Cl2O2S/c16-12-2-1-10(7-13(12)17)14(18)11-3-5-19-15(8-11)4-6-20-9-15/h1-2,7,11,14,18H,3-6,8-9H2
InChIKeyANDCOFRIFQVCOQ-UHFFFAOYSA-N
MW333.28 g/mol
LogP4.33
Rot. Bonds2

About (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79899757) has the molecular formula C15H18Cl2O2S and a molecular weight of 333.28 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79899757
Molecular FormulaC15H18Cl2O2S
Molecular Weight333.28 g/mol
Exact Mass332.04
IUPAC Name(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H18Cl2O2S/c16-12-2-1-10(7-13(12)17)14(18)11-3-5-19-15(8-11)4-6-20-9-15/h1-2,7,11,14,18H,3-6,8-9H2
InChIKeyANDCOFRIFQVCOQ-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
(5-chlorofuran-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106693916
(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79913942
6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol
CID 81153788
(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823429
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79909488
1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridazin-4-yl)methanol
CID 105116776
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79899757) is (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is OC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCSC2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is ANDCOFRIFQVCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2S/c16-12-2-1-10(7-13(12)17)14(18)11-3-5-19-15(8-11)4-6-20-9-15/h1-2,7,11,14,18H,3-6,8-9H2.
What are the key properties of (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 333.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79899757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).