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

C10H7ClO4 — CID 117325855

IUPAC4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
SMILESCOc1cc(C(=O)O)c(Cl)c2ccoc12
InChIInChI=1S/C10H7ClO4/c1-14-7-4-6(10(12)13)8(11)5-2-3-15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKeyWYSKDGPWBVPNJR-UHFFFAOYSA-N
MW226.61 g/mol
LogP2.79
Rot. Bonds2

About 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid

4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid (PubChem CID 117325855) has the molecular formula C10H7ClO4 and a molecular weight of 226.61 g/mol. Its IUPAC name is 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
PubChem CID117325855
Molecular FormulaC10H7ClO4
Molecular Weight226.61 g/mol
Exact Mass226.00
IUPAC Name4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
SMILESCOc1cc(C(=O)O)c(Cl)c2ccoc12
InChIInChI=1S/C10H7ClO4/c1-14-7-4-6(10(12)13)8(11)5-2-3-15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKeyWYSKDGPWBVPNJR-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

2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
CID 117351723
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 117420629
3-(4-chloro-7-methoxy-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117454306
4-chloro-7-methoxy-1H-indole-5-carboxylic acid
CID 90219714
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117450627
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
CID 117354020
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid
CID 69006707
4-chloro-7-methoxy-1H-indole-5-carboxylic acid;methyl 4-chloro-7-methyl-1H-indole-5-carboxylate
CID 159871655
2-[(2-chloro-3,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432216
4-amino-3-chloro-2-fluoro-5-methoxybenzoic acid
CID 155684201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid?
The IUPAC name of 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid (CID 117325855) is 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid is COc1cc(C(=O)O)c(Cl)c2ccoc12.
What is the InChIKey of 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid?
The InChIKey is WYSKDGPWBVPNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4/c1-14-7-4-6(10(12)13)8(11)5-2-3-15-9(5)7/h2-4H,1H3,(H,12,13).
What are the key properties of 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid?
4-chloro-7-methoxy-1-benzofuran-5-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 4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 117325855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).