2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol

C11H14O4S — CID 117200240

IUPAC2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESCOc1cccc2c1C(CCO)CS2(=O)=O
InChIInChI=1S/C11H14O4S/c1-15-9-3-2-4-10-11(9)8(5-6-12)7-16(10,13)14/h2-4,8,12H,5-7H2,1H3
InChIKeyXXOMTHTUFBJAJU-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.95
Rot. Bonds3

About 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol

2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol (PubChem CID 117200240) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
PubChem CID117200240
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESCOc1cccc2c1C(CCO)CS2(=O)=O
InChIInChI=1S/C11H14O4S/c1-15-9-3-2-4-10-11(9)8(5-6-12)7-16(10,13)14/h2-4,8,12H,5-7H2,1H3
InChIKeyXXOMTHTUFBJAJU-UHFFFAOYSA-N
XLogP0.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-one
CID 117200245
O-[(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methyl]hydroxylamine
CID 117200257
2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)acetaldehyde
CID 117200244
2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 117199715
1-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-one
CID 117199722
4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)butan-1-ol
CID 57254586
2-[2-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]oxy]ethoxy]ethanol
CID 22091955
O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine
CID 117199259
2-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]oxy]acetic acid
CID 22091965
4-methoxy-3-[4-(pyridin-3-ylmethoxy)phenyl]sulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;hydrochloride
CID 70007764
(3R,5S,6S,8S)-11-methoxyhexacyclo[8.4.0.02,5.03,8.04,7.06,9]tetradeca-1(10),11,13-triene
CID 98556362
3-(benzenesulfonyl)-4-[(4-methylphenyl)methoxy]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 22092149

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol (CID 117200240) is 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol is COc1cccc2c1C(CCO)CS2(=O)=O.
What is the InChIKey of 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The InChIKey is XXOMTHTUFBJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-15-9-3-2-4-10-11(9)8(5-6-12)7-16(10,13)14/h2-4,8,12H,5-7H2,1H3.
What are the key properties of 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol has a molecular weight of 242.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 117200240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).