5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid

C10H7ClO4 — CID 2060035

IUPAC5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1cc(Cl)cc2cc(C(=O)O)oc12
InChIInChI=1S/C10H7ClO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKeySJIWXWCGQMFLNE-UHFFFAOYSA-N
MW226.61 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid

5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid (PubChem CID 2060035) has the molecular formula C10H7ClO4 and a molecular weight of 226.61 g/mol. Its IUPAC name is 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
PubChem CID2060035
Molecular FormulaC10H7ClO4
Molecular Weight226.61 g/mol
Exact Mass226.00
IUPAC Name5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1cc(Cl)cc2cc(C(=O)O)oc12
InChIInChI=1S/C10H7ClO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKeySJIWXWCGQMFLNE-UHFFFAOYSA-N
XLogP2.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-methoxy-1-benzofuran-2-carboxylate
CID 2060034
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
5-chloro-7-methoxy-2-methyl-1-benzofuran
CID 135380056
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[(4S)-4-(dimethylamino)azepan-1-yl]methanone
CID 95718446
[(3aS,6aS)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-(5-chloro-7-methoxy-1-benzofuran-2-yl)methanone
CID 157014808
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
CID 110164777
(5S)-7-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96580239
9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138384271
2-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598536
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639249
6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde
CID 134990010

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid (CID 2060035) is 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid is COc1cc(Cl)cc2cc(C(=O)O)oc12.
What is the InChIKey of 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid?
The InChIKey is SJIWXWCGQMFLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13).
What are the key properties of 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid?
5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid has a molecular weight of 226.61 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 2060035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).