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

C13H15ClO2S — CID 117430121

IUPAC1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(OC3CCSC3)c(Cl)c2)CC1
InChIInChI=1S/C13H15ClO2S/c14-11-7-9(13(15)4-5-13)1-2-12(11)16-10-3-6-17-8-10/h1-2,7,10,15H,3-6,8H2
InChIKeyIPMRHWSIQKOFII-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds3

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

1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol (PubChem CID 117430121) has the molecular formula C13H15ClO2S and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol
PubChem CID117430121
Molecular FormulaC13H15ClO2S
Molecular Weight270.78 g/mol
Exact Mass270.05
IUPAC Name1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(OC3CCSC3)c(Cl)c2)CC1
InChIInChI=1S/C13H15ClO2S/c14-11-7-9(13(15)4-5-13)1-2-12(11)16-10-3-6-17-8-10/h1-2,7,10,15H,3-6,8H2
InChIKeyIPMRHWSIQKOFII-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117479613
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117384320
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-2-ol
CID 115005752
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
4-[3-chloro-4-(thiolan-3-yloxy)phenyl]butan-1-amine
CID 117460472
[1-[3-chloro-4-(thietan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117496547
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-2-methylpyrrolidine
CID 117473686
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
1-[3-chloro-4-(thian-3-yloxy)phenyl]propan-2-amine
CID 117460477
2-[3-chloro-4-(thian-3-yloxy)phenyl]-N-methylethanamine
CID 117460479
1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
CID 117415265

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol (CID 117430121) is 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol is OC1(c2ccc(OC3CCSC3)c(Cl)c2)CC1.
What is the InChIKey of 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol?
The InChIKey is IPMRHWSIQKOFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2S/c14-11-7-9(13(15)4-5-13)1-2-12(11)16-10-3-6-17-8-10/h1-2,7,10,15H,3-6,8H2.
What are the key properties of 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol?
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol has a molecular weight of 270.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117430121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).