1-(phenylsulfanylmethyl)cyclopentan-1-ol

C12H16OS — CID 13448038

IUPAC1-(phenylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2ccccc2)CCCC1
InChIInChI=1S/C12H16OS/c13-12(8-4-5-9-12)10-14-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChIKeyFOGQCSFEEHTTMV-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.08
Rot. Bonds3

About 1-(phenylsulfanylmethyl)cyclopentan-1-ol

1-(phenylsulfanylmethyl)cyclopentan-1-ol (PubChem CID 13448038) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(phenylsulfanylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(phenylsulfanylmethyl)cyclopentan-1-ol
PubChem CID13448038
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-(phenylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2ccccc2)CCCC1
InChIInChI=1S/C12H16OS/c13-12(8-4-5-9-12)10-14-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChIKeyFOGQCSFEEHTTMV-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol
CID 65212444
1-[(2-phenylsulfanylethylamino)methyl]cycloheptan-1-ol
CID 60710821
1-[[4-[1-(ethylamino)ethyl]phenyl]sulfanylmethyl]cyclopentan-1-ol
CID 65212500
1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol
CID 65212418
1-(thiophen-2-ylsulfanylmethyl)cyclopentan-1-ol
CID 65212586
1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol
CID 79148826
1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol
CID 65213234
5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide
CID 67135102
[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
CID 79223958
1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
CID 65212251
2-(phenylsulfanylmethyl)pyrrolidine-2-carboxylic acid
CID 141198596
4-[(4-bromophenyl)sulfanylmethyl]oxan-4-ol
CID 156684426

Frequently Asked Questions

What is the IUPAC name of 1-(phenylsulfanylmethyl)cyclopentan-1-ol?
The IUPAC name of 1-(phenylsulfanylmethyl)cyclopentan-1-ol (CID 13448038) is 1-(phenylsulfanylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(phenylsulfanylmethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(phenylsulfanylmethyl)cyclopentan-1-ol is OC1(CSc2ccccc2)CCCC1.
What is the InChIKey of 1-(phenylsulfanylmethyl)cyclopentan-1-ol?
The InChIKey is FOGQCSFEEHTTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c13-12(8-4-5-9-12)10-14-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2.
What are the key properties of 1-(phenylsulfanylmethyl)cyclopentan-1-ol?
1-(phenylsulfanylmethyl)cyclopentan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylsulfanylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 13448038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).