3-methoxy-2-(thiolan-3-yl)propan-1-ol

C8H16O2S — CID 117238022

IUPAC3-methoxy-2-(thiolan-3-yl)propan-1-ol
SMILESCOCC(CO)C1CCSC1
InChIInChI=1S/C8H16O2S/c1-10-5-8(4-9)7-2-3-11-6-7/h7-9H,2-6H2,1H3
InChIKeyNHHKWAWTPDQCGU-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.99
Rot. Bonds4

About 3-methoxy-2-(thiolan-3-yl)propan-1-ol

3-methoxy-2-(thiolan-3-yl)propan-1-ol (PubChem CID 117238022) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-methoxy-2-(thiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-(thiolan-3-yl)propan-1-ol
PubChem CID117238022
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3-methoxy-2-(thiolan-3-yl)propan-1-ol
SMILESCOCC(CO)C1CCSC1
InChIInChI=1S/C8H16O2S/c1-10-5-8(4-9)7-2-3-11-6-7/h7-9H,2-6H2,1H3
InChIKeyNHHKWAWTPDQCGU-UHFFFAOYSA-N
XLogP0.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
CID 117237604
3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol
CID 117237716
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate
CID 117238513
2-(thiolan-3-yl)butan-1-amine
CID 82596112
4-amino-2-(thian-3-yl)butan-1-ol
CID 115017955
2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270
methyl 3-(thiolan-3-yl)butanoate
CID 176838272
3-(1-chloro-4-methylpentan-2-yl)thiolane
CID 165443604
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
methyl 4-hydroxy-3-methyl-4-(thiolan-3-yl)butanoate
CID 107133426
1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
CID 107166673

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(thiolan-3-yl)propan-1-ol?
The IUPAC name of 3-methoxy-2-(thiolan-3-yl)propan-1-ol (CID 117238022) is 3-methoxy-2-(thiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-(thiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-methoxy-2-(thiolan-3-yl)propan-1-ol is COCC(CO)C1CCSC1.
What is the InChIKey of 3-methoxy-2-(thiolan-3-yl)propan-1-ol?
The InChIKey is NHHKWAWTPDQCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-10-5-8(4-9)7-2-3-11-6-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-methoxy-2-(thiolan-3-yl)propan-1-ol?
3-methoxy-2-(thiolan-3-yl)propan-1-ol has a molecular weight of 176.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(thiolan-3-yl)propan-1-ol is sourced from PubChem (CID 117238022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).