2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol

C13H18O2S — CID 116523197

IUPAC2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
SMILESCC1(C)CCC(CSc2ccccc2O)O1
InChIInChI=1S/C13H18O2S/c1-13(2)8-7-10(15-13)9-16-12-6-4-3-5-11(12)14/h3-6,10,14H,7-9H2,1-2H3
InChIKeyZHVBTZNQIFRNOI-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.44
Rot. Bonds3

About 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol

2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol (PubChem CID 116523197) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
PubChem CID116523197
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
SMILESCC1(C)CCC(CSc2ccccc2O)O1
InChIInChI=1S/C13H18O2S/c1-13(2)8-7-10(15-13)9-16-12-6-4-3-5-11(12)14/h3-6,10,14H,7-9H2,1-2H3
InChIKeyZHVBTZNQIFRNOI-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenyl]methanamine
CID 116524182
1-[4-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenyl]-N-methylethanamine
CID 116524159
N-[[4-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 116524186
3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]benzaldehyde
CID 116524155
5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane
CID 116525226
4-benzyl-3-[[(2S)-5,5-dimethyloxolan-2-yl]methylsulfanyl]-5-methyl-1,2,4-triazole
CID 124743751
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
2-(azetidin-2-ylmethylsulfanyl)phenol
CID 115070924
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
2-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)benzoic acid
CID 102896253
[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 116522844
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenol
CID 66361038

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol (CID 116523197) is 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol is CC1(C)CCC(CSc2ccccc2O)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol?
The InChIKey is ZHVBTZNQIFRNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-13(2)8-7-10(15-13)9-16-12-6-4-3-5-11(12)14/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol?
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol has a molecular weight of 238.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 116523197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).