1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol

C13H16OS — CID 73424855

IUPAC1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol
SMILESOC1(C2(Sc3ccccc3)CC2)CCC1
InChIInChI=1S/C13H16OS/c14-12(7-4-8-12)13(9-10-13)15-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2
InChIKeyMWQBVMCKLGLRBL-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.23
Rot. Bonds3

About 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol

1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol (PubChem CID 73424855) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol
PubChem CID73424855
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol
SMILESOC1(C2(Sc3ccccc3)CC2)CCC1
InChIInChI=1S/C13H16OS/c14-12(7-4-8-12)13(9-10-13)15-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2
InChIKeyMWQBVMCKLGLRBL-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol?
The IUPAC name of 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol (CID 73424855) is 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol?
The canonical SMILES for 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol is OC1(C2(Sc3ccccc3)CC2)CCC1.
What is the InChIKey of 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol?
The InChIKey is MWQBVMCKLGLRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c14-12(7-4-8-12)13(9-10-13)15-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2.
What are the key properties of 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol?
1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol has a molecular weight of 220.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol is sourced from PubChem (CID 73424855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).