2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol

C13H17ClO2S — CID 117434756

IUPAC2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(OC2CCSC2)c(Cl)c1
InChIInChI=1S/C13H17ClO2S/c1-9(7-15)10-2-3-13(12(14)6-10)16-11-4-5-17-8-11/h2-3,6,9,11,15H,4-5,7-8H2,1H3
InChIKeyAUQBMGBYEWUABT-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.32
Rot. Bonds4

About 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol

2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol (PubChem CID 117434756) has the molecular formula C13H17ClO2S and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
PubChem CID117434756
Molecular FormulaC13H17ClO2S
Molecular Weight272.80 g/mol
Exact Mass272.06
IUPAC Name2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(OC2CCSC2)c(Cl)c1
InChIInChI=1S/C13H17ClO2S/c1-9(7-15)10-2-3-13(12(14)6-10)16-11-4-5-17-8-11/h2-3,6,9,11,15H,4-5,7-8H2,1H3
InChIKeyAUQBMGBYEWUABT-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-2-ol
CID 115005752
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol
CID 122470677
1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117479613
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117430121
2-[4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117384499
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289
1-[3-chloro-4-(thian-3-yloxy)phenyl]propan-2-amine
CID 117460477
4-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]piperidine
CID 86322273

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol (CID 117434756) is 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol is CC(CO)c1ccc(OC2CCSC2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is AUQBMGBYEWUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2S/c1-9(7-15)10-2-3-13(12(14)6-10)16-11-4-5-17-8-11/h2-3,6,9,11,15H,4-5,7-8H2,1H3.
What are the key properties of 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol?
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 272.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117434756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).