2-(3-methylphenyl)sulfanylcyclopentan-1-ol

C12H16OS — CID 61244535

IUPAC2-(3-methylphenyl)sulfanylcyclopentan-1-ol
SMILESCc1cccc(SC2CCCC2O)c1
InChIInChI=1S/C12H16OS/c1-9-4-2-5-10(8-9)14-12-7-3-6-11(12)13/h2,4-5,8,11-13H,3,6-7H2,1H3
InChIKeyYXFHUWXZFSFDAZ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.00
Rot. Bonds2

About 2-(3-methylphenyl)sulfanylcyclopentan-1-ol

2-(3-methylphenyl)sulfanylcyclopentan-1-ol (PubChem CID 61244535) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanylcyclopentan-1-ol
PubChem CID61244535
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-(3-methylphenyl)sulfanylcyclopentan-1-ol
SMILESCc1cccc(SC2CCCC2O)c1
InChIInChI=1S/C12H16OS/c1-9-4-2-5-10(8-9)14-12-7-3-6-11(12)13/h2,4-5,8,11-13H,3,6-7H2,1H3
InChIKeyYXFHUWXZFSFDAZ-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanylcyclopentan-1-ol?
The IUPAC name of 2-(3-methylphenyl)sulfanylcyclopentan-1-ol (CID 61244535) is 2-(3-methylphenyl)sulfanylcyclopentan-1-ol.
What is the SMILES notation for 2-(3-methylphenyl)sulfanylcyclopentan-1-ol?
The canonical SMILES for 2-(3-methylphenyl)sulfanylcyclopentan-1-ol is Cc1cccc(SC2CCCC2O)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanylcyclopentan-1-ol?
The InChIKey is YXFHUWXZFSFDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9-4-2-5-10(8-9)14-12-7-3-6-11(12)13/h2,4-5,8,11-13H,3,6-7H2,1H3.
What are the key properties of 2-(3-methylphenyl)sulfanylcyclopentan-1-ol?
2-(3-methylphenyl)sulfanylcyclopentan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanylcyclopentan-1-ol is sourced from PubChem (CID 61244535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).