chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol

C11H10ClFO3S — CID 139573769

IUPACchloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol
SMILESCOc1cc2sc(C(O)Cl)cc2c(F)c1OC
InChIInChI=1S/C11H10ClFO3S/c1-15-6-4-7-5(9(13)10(6)16-2)3-8(17-7)11(12)14/h3-4,11,14H,1-2H3
InChIKeyHSIOWKYEXDAKOU-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.29
Rot. Bonds3

About chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol

chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol (PubChem CID 139573769) has the molecular formula C11H10ClFO3S and a molecular weight of 276.72 g/mol. Its IUPAC name is chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Namechloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol
PubChem CID139573769
Molecular FormulaC11H10ClFO3S
Molecular Weight276.72 g/mol
Exact Mass276.00
IUPAC Namechloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol
SMILESCOc1cc2sc(C(O)Cl)cc2c(F)c1OC
InChIInChI=1S/C11H10ClFO3S/c1-15-6-4-7-5(9(13)10(6)16-2)3-8(17-7)11(12)14/h3-4,11,14H,1-2H3
InChIKeyHSIOWKYEXDAKOU-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)-4-hydroxybutanoic acid
CID 134395901
1-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)-3-methylbutan-1-one
CID 166928765
cyclopropane;4-fluoro-5,6-dimethoxy-1-benzothiophene-2-carbaldehyde;formic acid
CID 142319762
1-[2,2-difluoro-2-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)ethyl]cyclopropane-1-carboxylic acid
CID 166928621
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
methyl (2S)-2-(2-amino-2-oxoethoxy)-2-[[2-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)-1,3-dithian-2-yl]sulfanyl]acetate
CID 166928726
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
(2S)-4-[5-[3-[[2-[(3S)-3-carboxybutanoyl]-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid
CID 139547029
4-[5-[4-[[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]butoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
CID 167387421
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
methyl (2S)-2-(3-acetyloxypropoxy)-3-[2-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)-1,3-dithian-2-yl]propanoate
CID 166929000
(2S)-4-[5-[3-[[2-[(3S)-4,4-dihydroxy-3-methylbutanoyl]-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid
CID 139546928

Frequently Asked Questions

What is the IUPAC name of chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol?
The IUPAC name of chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol (CID 139573769) is chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol?
The canonical SMILES for chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol is COc1cc2sc(C(O)Cl)cc2c(F)c1OC.
What is the InChIKey of chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol?
The InChIKey is HSIOWKYEXDAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3S/c1-15-6-4-7-5(9(13)10(6)16-2)3-8(17-7)11(12)14/h3-4,11,14H,1-2H3.
What are the key properties of chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol?
chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol has a molecular weight of 276.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-fluoro-5,6-dimethoxy-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 139573769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).