7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid

C9H7ClO4 — CID 83886439

IUPAC7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc2c(c(Cl)c1O)OCC2
InChIInChI=1S/C9H7ClO4/c10-6-7(11)5(9(12)13)3-4-1-2-14-8(4)6/h3,11H,1-2H2,(H,12,13)
InChIKeyVMQTZAPQWRNZSJ-UHFFFAOYSA-N
MW214.60 g/mol
LogP1.68
Rot. Bonds1

About 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid

7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid (PubChem CID 83886439) has the molecular formula C9H7ClO4 and a molecular weight of 214.60 g/mol. Its IUPAC name is 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
PubChem CID83886439
Molecular FormulaC9H7ClO4
Molecular Weight214.60 g/mol
Exact Mass214.00
IUPAC Name7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc2c(c(Cl)c1O)OCC2
InChIInChI=1S/C9H7ClO4/c10-6-7(11)5(9(12)13)3-4-1-2-14-8(4)6/h3,11H,1-2H2,(H,12,13)
InChIKeyVMQTZAPQWRNZSJ-UHFFFAOYSA-N
XLogP1.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The IUPAC name of 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid (CID 83886439) is 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid is O=C(O)c1cc2c(c(Cl)c1O)OCC2.
What is the InChIKey of 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The InChIKey is VMQTZAPQWRNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO4/c10-6-7(11)5(9(12)13)3-4-1-2-14-8(4)6/h3,11H,1-2H2,(H,12,13).
What are the key properties of 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid?
7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid has a molecular weight of 214.60 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 83886439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).