2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol

C10H12O3S — CID 117303089

IUPAC2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol
SMILESCOc1cc2c(cc1CCO)OCS2
InChIInChI=1S/C10H12O3S/c1-12-8-5-10-9(13-6-14-10)4-7(8)2-3-11/h4-5,11H,2-3,6H2,1H3
InChIKeyPSLMPWMELZPHNQ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.67
Rot. Bonds3

About 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol

2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol (PubChem CID 117303089) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol.

Molecular Properties

Compound Name2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol
PubChem CID117303089
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol
SMILESCOc1cc2c(cc1CCO)OCS2
InChIInChI=1S/C10H12O3S/c1-12-8-5-10-9(13-6-14-10)4-7(8)2-3-11/h4-5,11H,2-3,6H2,1H3
InChIKeyPSLMPWMELZPHNQ-UHFFFAOYSA-N
XLogP1.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methoxy-1,3-benzoxathiol-6-yl)butanoic acid
CID 117389021
1-(5-methoxy-1,3-benzoxathiol-6-yl)ethanone
CID 66871315
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099
3-(5-methoxy-1,3-benzoxathiol-6-yl)butan-1-amine
CID 117351535
1-(5-methoxy-1,3-benzoxathiol-6-yl)cyclopentan-1-amine
CID 117381881
1-(5-ethoxy-1,3-benzoxathiol-6-yl)ethanone
CID 66871442
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117335907
2-(4-methoxythiophen-3-yl)ethanol
CID 46832003
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
2-methoxy-5-[3-(6-propoxy-2,3-dihydro-1,4-benzoxathiin-7-yl)propyl]aniline
CID 129262246

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol?
The IUPAC name of 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol (CID 117303089) is 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol.
What is the SMILES notation for 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol?
The canonical SMILES for 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol is COc1cc2c(cc1CCO)OCS2.
What is the InChIKey of 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol?
The InChIKey is PSLMPWMELZPHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-12-8-5-10-9(13-6-14-10)4-7(8)2-3-11/h4-5,11H,2-3,6H2,1H3.
What are the key properties of 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol?
2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol has a molecular weight of 212.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol is sourced from PubChem (CID 117303089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).