2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid

C16H12O3S — CID 122367016

IUPAC2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid
SMILESCOc1cccc(-c2cc3ccccc3s2)c1C(=O)O
InChIInChI=1S/C16H12O3S/c1-19-12-7-4-6-11(15(12)16(17)18)14-9-10-5-2-3-8-13(10)20-14/h2-9H,1H3,(H,17,18)
InChIKeyBZGXZYNNIJDHOK-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.28
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid

2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid (PubChem CID 122367016) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid
PubChem CID122367016
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid
SMILESCOc1cccc(-c2cc3ccccc3s2)c1C(=O)O
InChIInChI=1S/C16H12O3S/c1-19-12-7-4-6-11(15(12)16(17)18)14-9-10-5-2-3-8-13(10)20-14/h2-9H,1H3,(H,17,18)
InChIKeyBZGXZYNNIJDHOK-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid (CID 122367016) is 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid is COc1cccc(-c2cc3ccccc3s2)c1C(=O)O.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid?
The InChIKey is BZGXZYNNIJDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c1-19-12-7-4-6-11(15(12)16(17)18)14-9-10-5-2-3-8-13(10)20-14/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid?
2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid has a molecular weight of 284.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-6-methoxybenzoic acid is sourced from PubChem (CID 122367016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).