methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate

C18H16O4S — CID 54390123

IUPACmethyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)sc2cc(OC)ccc12
InChIInChI=1S/C18H16O4S/c1-20-12-6-4-11(5-7-12)17-16(18(19)22-3)14-9-8-13(21-2)10-15(14)23-17/h4-10H,1-3H3
InChIKeyVGAQHOVHNZSORI-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.37
Rot. Bonds4

About methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate

methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate (PubChem CID 54390123) has the molecular formula C18H16O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
PubChem CID54390123
Molecular FormulaC18H16O4S
Molecular Weight328.39 g/mol
Exact Mass328.08
IUPAC Namemethyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)sc2cc(OC)ccc12
InChIInChI=1S/C18H16O4S/c1-20-12-6-4-11(5-7-12)17-16(18(19)22-3)14-9-8-13(21-2)10-15(14)23-17/h4-10H,1-3H3
InChIKeyVGAQHOVHNZSORI-UHFFFAOYSA-N
XLogP4.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 25058323
(4-ethoxy-3,5-dimethoxyphenyl)-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 18318589
2-(4-fluorophenyl)-5-methoxy-1-benzothiophene-3-carboxylic acid;methyl 2-(4-fluorophenyl)-5-methoxy-1-benzothiophene-3-carboxylate
CID 158092809
6-bromo-1-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]hexan-1-one
CID 15365525
2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]-N,N-dimethylacetamide
CID 15338685
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 11326918
[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanone
CID 15550458
[4-[2-(diethylamino)ethoxy]phenyl]-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 15411886
[4-[6-ethoxy-3-(4-methoxybenzoyl)-1-benzothiophen-2-yl]phenyl] acetate
CID 22753274
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
CID 10741585
[3-bromo-2-(4-methoxyphenyl)-1-benzothiophen-6-yl] carbamate
CID 69044939
[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 18318529

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate?
The IUPAC name of methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate (CID 54390123) is methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate is COC(=O)c1c(-c2ccc(OC)cc2)sc2cc(OC)ccc12.
What is the InChIKey of methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate?
The InChIKey is VGAQHOVHNZSORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4S/c1-20-12-6-4-11(5-7-12)17-16(18(19)22-3)14-9-8-13(21-2)10-15(14)23-17/h4-10H,1-3H3.
What are the key properties of methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate?
methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 54390123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).