3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol

C13H18O2S — CID 117349655

IUPAC3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESOCCCc1ccccc1OC1CCSC1
InChIInChI=1S/C13H18O2S/c14-8-3-5-11-4-1-2-6-13(11)15-12-7-9-16-10-12/h1-2,4,6,12,14H,3,5,7-10H2
InChIKeyGTHWBHBGXAJWEO-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.50
Rot. Bonds5

About 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol

3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol (PubChem CID 117349655) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
PubChem CID117349655
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESOCCCc1ccccc1OC1CCSC1
InChIInChI=1S/C13H18O2S/c14-8-3-5-11-4-1-2-6-13(11)15-12-7-9-16-10-12/h1-2,4,6,12,14H,3,5,7-10H2
InChIKeyGTHWBHBGXAJWEO-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(thian-3-yloxy)phenyl]propan-1-ol
CID 117384484
3-[2-(1,1-dioxothietan-3-yl)oxyphenyl]propan-1-ol
CID 117394319
3-[2-(thian-3-yloxy)phenyl]propanoic acid
CID 117420330
4-[2-methoxy-3-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117477685
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636
3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444984
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
[2-(thietan-3-yloxy)phenyl]methanamine
CID 83484680
2-[3-methoxy-2-(thiolan-3-yloxy)phenyl]acetic acid
CID 117424669
3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117453883
3-amino-3-[2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117421857
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propan-2-one
CID 117420326

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol (CID 117349655) is 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol is OCCCc1ccccc1OC1CCSC1.
What is the InChIKey of 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is GTHWBHBGXAJWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c14-8-3-5-11-4-1-2-6-13(11)15-12-7-9-16-10-12/h1-2,4,6,12,14H,3,5,7-10H2.
What are the key properties of 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117349655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).