2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid

C14H13ClO4 — CID 117450627

IUPAC2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)c(Cl)c2ccoc12
InChIInChI=1S/C14H13ClO4/c1-18-10-6-9(14(3-4-14)7-11(16)17)12(15)8-2-5-19-13(8)10/h2,5-6H,3-4,7H2,1H3,(H,16,17)
InChIKeyOEWZSGRNUKGXQF-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.60
Rot. Bonds4

About 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid

2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid (PubChem CID 117450627) has the molecular formula C14H13ClO4 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
PubChem CID117450627
Molecular FormulaC14H13ClO4
Molecular Weight280.71 g/mol
Exact Mass280.05
IUPAC Name2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)c(Cl)c2ccoc12
InChIInChI=1S/C14H13ClO4/c1-18-10-6-9(14(3-4-14)7-11(16)17)12(15)8-2-5-19-13(8)10/h2,5-6H,3-4,7H2,1H3,(H,16,17)
InChIKeyOEWZSGRNUKGXQF-UHFFFAOYSA-N
XLogP3.60
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 117420629
2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
CID 117458288
4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
3-(4-chloro-7-methoxy-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117454306
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
CID 117351723
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117394939
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid (CID 117450627) is 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid is COc1cc(C2(CC(=O)O)CC2)c(Cl)c2ccoc12.
What is the InChIKey of 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid?
The InChIKey is OEWZSGRNUKGXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO4/c1-18-10-6-9(14(3-4-14)7-11(16)17)12(15)8-2-5-19-13(8)10/h2,5-6H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid?
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid has a molecular weight of 280.71 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117450627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).