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

C11H12O4S — CID 117120225

IUPAC1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol
SMILESCOc1cccc2c1C=C(C(C)O)S2(=O)=O
InChIInChI=1S/C11H12O4S/c1-7(12)11-6-8-9(15-2)4-3-5-10(8)16(11,13)14/h3-7,12H,1-2H3
InChIKeyGCAWVAJKFNJLET-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.20
Rot. Bonds2

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

1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol (PubChem CID 117120225) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol
PubChem CID117120225
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol
SMILESCOc1cccc2c1C=C(C(C)O)S2(=O)=O
InChIInChI=1S/C11H12O4S/c1-7(12)11-6-8-9(15-2)4-3-5-10(8)16(11,13)14/h3-7,12H,1-2H3
InChIKeyGCAWVAJKFNJLET-UHFFFAOYSA-N
XLogP1.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)-2-methylpropan-2-ol
CID 117120232
2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol
CID 117197036
(2S,3S)-1-(2,6-dimethoxyphenyl)-3-hydroxy-2-methylbutan-1-one
CID 102019504
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 104818478
5-methoxy-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84635730
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol (CID 117120225) is 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol is COc1cccc2c1C=C(C(C)O)S2(=O)=O.
What is the InChIKey of 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol?
The InChIKey is GCAWVAJKFNJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4S/c1-7(12)11-6-8-9(15-2)4-3-5-10(8)16(11,13)14/h3-7,12H,1-2H3.
What are the key properties of 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol?
1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol has a molecular weight of 240.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 117120225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).