methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate

C13H13ClO5 — CID 117458145

IUPACmethyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)c2oc(C)cc2c1Cl
InChIInChI=1S/C13H13ClO5/c1-6-4-8-10(14)7(11(15)13(16)18-3)5-9(17-2)12(8)19-6/h4-5,11,15H,1-3H3
InChIKeyKUSNTCVQUWCCCM-UHFFFAOYSA-N
MW284.69 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate

methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate (PubChem CID 117458145) has the molecular formula C13H13ClO5 and a molecular weight of 284.69 g/mol. Its IUPAC name is methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
PubChem CID117458145
Molecular FormulaC13H13ClO5
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Namemethyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)c2oc(C)cc2c1Cl
InChIInChI=1S/C13H13ClO5/c1-6-4-8-10(14)7(11(15)13(16)18-3)5-9(17-2)12(8)19-6/h4-5,11,15H,1-3H3
InChIKeyKUSNTCVQUWCCCM-UHFFFAOYSA-N
XLogP2.61
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
CID 117354046
methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
CID 117378480
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
CID 117427462
4-amino-4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)butanoic acid
CID 117479325
N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
CID 117356135
methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117363678
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
CID 117392278
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate (CID 117458145) is methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate is COC(=O)C(O)c1cc(OC)c2oc(C)cc2c1Cl.
What is the InChIKey of methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate?
The InChIKey is KUSNTCVQUWCCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO5/c1-6-4-8-10(14)7(11(15)13(16)18-3)5-9(17-2)12(8)19-6/h4-5,11,15H,1-3H3.
What are the key properties of methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate?
methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate has a molecular weight of 284.69 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate is sourced from PubChem (CID 117458145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).