[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol

C15H19ClO3S — CID 79893844

IUPAC[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H19ClO3S/c16-12-1-2-14(11(7-12)9-17)19-13-3-5-18-15(8-13)4-6-20-10-15/h1-2,7,13,17H,3-6,8-10H2
InChIKeyLVWCNSJCJJCHEI-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.27
Rot. Bonds3

About [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol

[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol (PubChem CID 79893844) has the molecular formula C15H19ClO3S and a molecular weight of 314.83 g/mol. Its IUPAC name is [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol
PubChem CID79893844
Molecular FormulaC15H19ClO3S
Molecular Weight314.83 g/mol
Exact Mass314.07
IUPAC Name[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H19ClO3S/c16-12-1-2-14(11(7-12)9-17)19-13-3-5-18-15(8-13)4-6-20-10-15/h1-2,7,13,17H,3-6,8-10H2
InChIKeyLVWCNSJCJJCHEI-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899571
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79924175
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
CID 79899358
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]propan-2-one
CID 115495256
9-(2-bromo-4-methoxyphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 104707464
[5-bromo-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899567
5-bromo-4-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 103482994
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908189
4-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898978
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol (CID 79893844) is [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol is OCc1cc(Cl)ccc1OC1CCOC2(CCSC2)C1.
What is the InChIKey of [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol?
The InChIKey is LVWCNSJCJJCHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3S/c16-12-1-2-14(11(7-12)9-17)19-13-3-5-18-15(8-13)4-6-20-10-15/h1-2,7,13,17H,3-6,8-10H2.
What are the key properties of [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol?
[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol has a molecular weight of 314.83 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol is sourced from PubChem (CID 79893844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).