2-[3-(thiolan-3-yl)phenyl]ethanol

C12H16OS — CID 84780337

IUPAC2-[3-(thiolan-3-yl)phenyl]ethanol
SMILESOCCc1cccc(C2CCSC2)c1
InChIInChI=1S/C12H16OS/c13-6-4-10-2-1-3-11(8-10)12-5-7-14-9-12/h1-3,8,12-13H,4-7,9H2
InChIKeyUXZGRBFNQSSRFJ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.44
Rot. Bonds3

About 2-[3-(thiolan-3-yl)phenyl]ethanol

2-[3-(thiolan-3-yl)phenyl]ethanol (PubChem CID 84780337) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-[3-(thiolan-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(thiolan-3-yl)phenyl]ethanol
PubChem CID84780337
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-[3-(thiolan-3-yl)phenyl]ethanol
SMILESOCCc1cccc(C2CCSC2)c1
InChIInChI=1S/C12H16OS/c13-6-4-10-2-1-3-11(8-10)12-5-7-14-9-12/h1-3,8,12-13H,4-7,9H2
InChIKeyUXZGRBFNQSSRFJ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-(thiolan-3-yl)phenyl]ethanol
CID 117358971
3-[3-(thiolan-3-yl)phenoxy]propan-1-ol
CID 115042726
3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117379776
2-[3-(thietan-3-yl)phenyl]ethanamine
CID 83830582
1-[3-(thiolan-3-yl)phenyl]ethanone
CID 84779240
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine
CID 117285695
2,2-dimethyl-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117446763
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
2-[4-(thiolan-3-yl)phenyl]ethanamine
CID 84779900
(3-cycloheptylphenyl)methanol
CID 84672634
2-(3-cyclobutylphenyl)ethanamine
CID 83827556

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiolan-3-yl)phenyl]ethanol?
The IUPAC name of 2-[3-(thiolan-3-yl)phenyl]ethanol (CID 84780337) is 2-[3-(thiolan-3-yl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(thiolan-3-yl)phenyl]ethanol?
The canonical SMILES for 2-[3-(thiolan-3-yl)phenyl]ethanol is OCCc1cccc(C2CCSC2)c1.
What is the InChIKey of 2-[3-(thiolan-3-yl)phenyl]ethanol?
The InChIKey is UXZGRBFNQSSRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c13-6-4-10-2-1-3-11(8-10)12-5-7-14-9-12/h1-3,8,12-13H,4-7,9H2.
What are the key properties of 2-[3-(thiolan-3-yl)phenyl]ethanol?
2-[3-(thiolan-3-yl)phenyl]ethanol has a molecular weight of 208.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiolan-3-yl)phenyl]ethanol is sourced from PubChem (CID 84780337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).