[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol

C14H20OS — CID 112630936

IUPAC[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSCC2CCCC2)cc1
InChIInChI=1S/C14H20OS/c15-9-12-5-7-14(8-6-12)11-16-10-13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2
InChIKeyUBDATLOMWQIIQU-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.60
Rot. Bonds5

About [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol

[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol (PubChem CID 112630936) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol
PubChem CID112630936
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSCC2CCCC2)cc1
InChIInChI=1S/C14H20OS/c15-9-12-5-7-14(8-6-12)11-16-10-13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2
InChIKeyUBDATLOMWQIIQU-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol?
The IUPAC name of [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol (CID 112630936) is [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol?
The canonical SMILES for [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol is OCc1ccc(CSCC2CCCC2)cc1.
What is the InChIKey of [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol?
The InChIKey is UBDATLOMWQIIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c15-9-12-5-7-14(8-6-12)11-16-10-13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2.
What are the key properties of [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol?
[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol has a molecular weight of 236.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol is sourced from PubChem (CID 112630936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).