2-[hydroxy(thiolan-3-yl)methyl]phenol

C11H14O2S — CID 115027036

IUPAC2-[hydroxy(thiolan-3-yl)methyl]phenol
SMILESOc1ccccc1C(O)C1CCSC1
InChIInChI=1S/C11H14O2S/c12-10-4-2-1-3-9(10)11(13)8-5-6-14-7-8/h1-4,8,11-13H,5-7H2
InChIKeyVCIMPGZZDZNJDG-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.18
Rot. Bonds2

About 2-[hydroxy(thiolan-3-yl)methyl]phenol

2-[hydroxy(thiolan-3-yl)methyl]phenol (PubChem CID 115027036) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[hydroxy(thiolan-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[hydroxy(thiolan-3-yl)methyl]phenol
PubChem CID115027036
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-[hydroxy(thiolan-3-yl)methyl]phenol
SMILESOc1ccccc1C(O)C1CCSC1
InChIInChI=1S/C11H14O2S/c12-10-4-2-1-3-9(10)11(13)8-5-6-14-7-8/h1-4,8,11-13H,5-7H2
InChIKeyVCIMPGZZDZNJDG-UHFFFAOYSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
2-[1-(thian-4-yl)ethyl]phenol
CID 115033657
(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
CID 131186478
isoquinolin-5-yl(thiolan-3-yl)methanol
CID 105094590
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol
CID 105103601
2-(2-hydroxyphenyl)-2-(thian-4-yl)acetaldehyde
CID 105498160
2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
CID 83855930
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
2-[amino(thiolan-3-yl)methyl]benzoic acid
CID 105499476
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol
CID 106971988
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(thiolan-3-yl)methyl]phenol?
The IUPAC name of 2-[hydroxy(thiolan-3-yl)methyl]phenol (CID 115027036) is 2-[hydroxy(thiolan-3-yl)methyl]phenol.
What is the SMILES notation for 2-[hydroxy(thiolan-3-yl)methyl]phenol?
The canonical SMILES for 2-[hydroxy(thiolan-3-yl)methyl]phenol is Oc1ccccc1C(O)C1CCSC1.
What is the InChIKey of 2-[hydroxy(thiolan-3-yl)methyl]phenol?
The InChIKey is VCIMPGZZDZNJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-10-4-2-1-3-9(10)11(13)8-5-6-14-7-8/h1-4,8,11-13H,5-7H2.
What are the key properties of 2-[hydroxy(thiolan-3-yl)methyl]phenol?
2-[hydroxy(thiolan-3-yl)methyl]phenol has a molecular weight of 210.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(thiolan-3-yl)methyl]phenol is sourced from PubChem (CID 115027036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).