(3-cyclopentylsulfanyl-5-fluorophenyl)methanol

C12H15FOS — CID 106533898

IUPAC(3-cyclopentylsulfanyl-5-fluorophenyl)methanol
SMILESOCc1cc(F)cc(SC2CCCC2)c1
InChIInChI=1S/C12H15FOS/c13-10-5-9(8-14)6-12(7-10)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2
InChIKeyDVFXXGZRSIMAKS-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.35
Rot. Bonds3

About (3-cyclopentylsulfanyl-5-fluorophenyl)methanol

(3-cyclopentylsulfanyl-5-fluorophenyl)methanol (PubChem CID 106533898) has the molecular formula C12H15FOS and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-cyclopentylsulfanyl-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-cyclopentylsulfanyl-5-fluorophenyl)methanol
PubChem CID106533898
Molecular FormulaC12H15FOS
Molecular Weight226.32 g/mol
Exact Mass226.08
IUPAC Name(3-cyclopentylsulfanyl-5-fluorophenyl)methanol
SMILESOCc1cc(F)cc(SC2CCCC2)c1
InChIInChI=1S/C12H15FOS/c13-10-5-9(8-14)6-12(7-10)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2
InChIKeyDVFXXGZRSIMAKS-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylsulfanyl-5-fluorophenyl)methanol?
The IUPAC name of (3-cyclopentylsulfanyl-5-fluorophenyl)methanol (CID 106533898) is (3-cyclopentylsulfanyl-5-fluorophenyl)methanol.
What is the SMILES notation for (3-cyclopentylsulfanyl-5-fluorophenyl)methanol?
The canonical SMILES for (3-cyclopentylsulfanyl-5-fluorophenyl)methanol is OCc1cc(F)cc(SC2CCCC2)c1.
What is the InChIKey of (3-cyclopentylsulfanyl-5-fluorophenyl)methanol?
The InChIKey is DVFXXGZRSIMAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FOS/c13-10-5-9(8-14)6-12(7-10)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2.
What are the key properties of (3-cyclopentylsulfanyl-5-fluorophenyl)methanol?
(3-cyclopentylsulfanyl-5-fluorophenyl)methanol has a molecular weight of 226.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylsulfanyl-5-fluorophenyl)methanol is sourced from PubChem (CID 106533898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).