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

C13H18O2S — CID 117349636

IUPAC2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1OC1CCSC1
InChIInChI=1S/C13H18O2S/c1-10(8-14)12-4-2-3-5-13(12)15-11-6-7-16-9-11/h2-5,10-11,14H,6-9H2,1H3
InChIKeyAQGWLKSSBBKGTF-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.67
Rot. Bonds4

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

2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol (PubChem CID 117349636) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
PubChem CID117349636
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1OC1CCSC1
InChIInChI=1S/C13H18O2S/c1-10(8-14)12-4-2-3-5-13(12)15-11-6-7-16-9-11/h2-5,10-11,14H,6-9H2,1H3
InChIKeyAQGWLKSSBBKGTF-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 115005219
2-[2-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117297539
3-[2-(thian-4-yloxy)phenyl]butanal
CID 117415908
2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
3-amino-3-[2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117421857
3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349655
2-[4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117384499
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
CID 117426819
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
1-[2-(thian-4-yloxy)phenyl]propan-2-amine
CID 115005189
2-[2-(thietan-3-yl)phenyl]propan-1-ol
CID 117298047

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol (CID 117349636) is 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol is CC(CO)c1ccccc1OC1CCSC1.
What is the InChIKey of 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is AQGWLKSSBBKGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-10(8-14)12-4-2-3-5-13(12)15-11-6-7-16-9-11/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol?
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117349636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).