1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol

C13H18OS — CID 10609086

IUPAC1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol
SMILESOC1(Cc2ccccc2CS)CCCC1
InChIInChI=1S/C13H18OS/c14-13(7-3-4-8-13)9-11-5-1-2-6-12(11)10-15/h1-2,5-6,14-15H,3-4,7-10H2
InChIKeyUPLKHOWULHHDJQ-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.96
Rot. Bonds3

About 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol

1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol (PubChem CID 10609086) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol
PubChem CID10609086
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol
SMILESOC1(Cc2ccccc2CS)CCCC1
InChIInChI=1S/C13H18OS/c14-13(7-3-4-8-13)9-11-5-1-2-6-12(11)10-15/h1-2,5-6,14-15H,3-4,7-10H2
InChIKeyUPLKHOWULHHDJQ-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 60797945
1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol
CID 79081595
4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
CID 105476182
4-(naphthalen-1-ylmethyl)oxepan-4-ol
CID 65151405
N-[2-[(1-hydroxycyclohexyl)methyl]-6-methylphenyl]-N,2-dimethylbenzamide
CID 11156012
8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 162442263
4-[(2-aminophenyl)methyl]thian-4-ol
CID 105481144
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
CID 65075284
1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol
CID 117332597
1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)cyclopropan-1-ol
CID 117291079
4-[2-(sulfanylmethyl)phenyl]thian-4-ol
CID 142839813

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol (CID 10609086) is 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol is OC1(Cc2ccccc2CS)CCCC1.
What is the InChIKey of 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol?
The InChIKey is UPLKHOWULHHDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-13(7-3-4-8-13)9-11-5-1-2-6-12(11)10-15/h1-2,5-6,14-15H,3-4,7-10H2.
What are the key properties of 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol?
1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 10609086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).