3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid

C14H11ClO4S — CID 66360551

IUPAC3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H11ClO4S/c15-9-1-2-11-8(5-9)6-10(19-11)7-18-12-3-4-20-13(12)14(16)17/h1-5,10H,6-7H2,(H,16,17)
InChIKeyOWNMUFRXDAGQEX-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.48
Rot. Bonds4

About 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid

3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66360551) has the molecular formula C14H11ClO4S and a molecular weight of 310.76 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66360551
Molecular FormulaC14H11ClO4S
Molecular Weight310.76 g/mol
Exact Mass310.01
IUPAC Name3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H11ClO4S/c15-9-1-2-11-8(5-9)6-10(19-11)7-18-12-3-4-20-13(12)14(16)17/h1-5,10H,6-7H2,(H,16,17)
InChIKeyOWNMUFRXDAGQEX-UHFFFAOYSA-N
XLogP3.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid (CID 66360551) is 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1sccc1OCC1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is OWNMUFRXDAGQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4S/c15-9-1-2-11-8(5-9)6-10(19-11)7-18-12-3-4-20-13(12)14(16)17/h1-5,10H,6-7H2,(H,16,17).
What are the key properties of 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid?
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 310.76 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66360551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).