5-chloro-7-methoxy-1-benzofuran-2-carboxylate

C10H6ClO4- — CID 2060034

IUPAC5-chloro-7-methoxy-1-benzofuran-2-carboxylate
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)/p-1
InChIKeySJIWXWCGQMFLNE-UHFFFAOYSA-M
MW225.61 g/mol
LogP1.46
Rot. Bonds2

About 5-chloro-7-methoxy-1-benzofuran-2-carboxylate

5-chloro-7-methoxy-1-benzofuran-2-carboxylate (PubChem CID 2060034) has the molecular formula C10H6ClO4- and a molecular weight of 225.61 g/mol. Its IUPAC name is 5-chloro-7-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name5-chloro-7-methoxy-1-benzofuran-2-carboxylate
PubChem CID2060034
Molecular FormulaC10H6ClO4-
Molecular Weight225.61 g/mol
Exact Mass225.00
IUPAC Name5-chloro-7-methoxy-1-benzofuran-2-carboxylate
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)/p-1
InChIKeySJIWXWCGQMFLNE-UHFFFAOYSA-M
XLogP1.46
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
CID 2060035
(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
6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde
CID 134990010
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-chloro-7-methoxy-1-benzofuran-2-carboxamide;hydrochloride
CID 172912161
[(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
(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
5,8-dimethoxy-4-oxochromene-2-carboxylate
CID 6928203
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of 5-chloro-7-methoxy-1-benzofuran-2-carboxylate (CID 2060034) is 5-chloro-7-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for 5-chloro-7-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for 5-chloro-7-methoxy-1-benzofuran-2-carboxylate is COc1cc(Cl)cc2cc(C(=O)[O-])oc12.
What is the InChIKey of 5-chloro-7-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is SJIWXWCGQMFLNE-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 5-chloro-7-methoxy-1-benzofuran-2-carboxylate?
5-chloro-7-methoxy-1-benzofuran-2-carboxylate has a molecular weight of 225.61 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2060034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).