2-phenoxycyclopentane-1-thiol

C11H14OS — CID 130451527

IUPAC2-phenoxycyclopentane-1-thiol
SMILESSC1CCCC1Oc1ccccc1
InChIInChI=1S/C11H14OS/c13-11-8-4-7-10(11)12-9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2
InChIKeyNKCDCOUDWFFHRU-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.92
Rot. Bonds2

About 2-phenoxycyclopentane-1-thiol

2-phenoxycyclopentane-1-thiol (PubChem CID 130451527) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-phenoxycyclopentane-1-thiol.

Molecular Properties

Compound Name2-phenoxycyclopentane-1-thiol
PubChem CID130451527
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-phenoxycyclopentane-1-thiol
SMILESSC1CCCC1Oc1ccccc1
InChIInChI=1S/C11H14OS/c13-11-8-4-7-10(11)12-9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2
InChIKeyNKCDCOUDWFFHRU-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
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 22247671
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
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trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
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4-phenoxypyrrolidine-3-thiol
CID 130451524
(3aR,4R,7aS)-4-phenoxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
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(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607
2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
4-[(1S,2R)-2-phenoxycyclohexyl]morpholine
CID 92857072
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660

Frequently Asked Questions

What is the IUPAC name of 2-phenoxycyclopentane-1-thiol?
The IUPAC name of 2-phenoxycyclopentane-1-thiol (CID 130451527) is 2-phenoxycyclopentane-1-thiol.
What is the SMILES notation for 2-phenoxycyclopentane-1-thiol?
The canonical SMILES for 2-phenoxycyclopentane-1-thiol is SC1CCCC1Oc1ccccc1.
What is the InChIKey of 2-phenoxycyclopentane-1-thiol?
The InChIKey is NKCDCOUDWFFHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c13-11-8-4-7-10(11)12-9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2.
What are the key properties of 2-phenoxycyclopentane-1-thiol?
2-phenoxycyclopentane-1-thiol has a molecular weight of 194.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxycyclopentane-1-thiol is sourced from PubChem (CID 130451527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).