methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate

C11H9ClO4 — CID 119086644

IUPACmethyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1coc2c(Cl)c(O)ccc12
InChIInChI=1S/C11H9ClO4/c1-15-9(14)4-6-5-16-11-7(6)2-3-8(13)10(11)12/h2-3,5,13H,4H2,1H3
InChIKeyGZFKOQPMXAVNHW-UHFFFAOYSA-N
MW240.64 g/mol
LogP2.51
Rot. Bonds2

About methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate

methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 119086644) has the molecular formula C11H9ClO4 and a molecular weight of 240.64 g/mol. Its IUPAC name is methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID119086644
Molecular FormulaC11H9ClO4
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Namemethyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1coc2c(Cl)c(O)ccc12
InChIInChI=1S/C11H9ClO4/c1-15-9(14)4-6-5-16-11-7(6)2-3-8(13)10(11)12/h2-3,5,13H,4H2,1H3
InChIKeyGZFKOQPMXAVNHW-UHFFFAOYSA-N
XLogP2.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138
2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 167911518
methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
CID 171776280
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate
CID 22734085
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617878
methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate
CID 54155467
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate (CID 119086644) is methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate is COC(=O)Cc1coc2c(Cl)c(O)ccc12.
What is the InChIKey of methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is GZFKOQPMXAVNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO4/c1-15-9(14)4-6-5-16-11-7(6)2-3-8(13)10(11)12/h2-3,5,13H,4H2,1H3.
What are the key properties of methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate?
methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 240.64 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 119086644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).