methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate

C12H13ClO6 — CID 117466340

IUPACmethyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)c(OC)cc2c1OCCO2
InChIInChI=1S/C12H13ClO6/c1-16-6-5-7-11(19-4-3-18-7)8(9(6)13)10(14)12(15)17-2/h5,10,14H,3-4H2,1-2H3
InChIKeyWGQXPQYGYNPBPE-UHFFFAOYSA-N
MW288.68 g/mol
LogP1.33
Rot. Bonds3

About methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate

methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate (PubChem CID 117466340) has the molecular formula C12H13ClO6 and a molecular weight of 288.68 g/mol. Its IUPAC name is methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate
PubChem CID117466340
Molecular FormulaC12H13ClO6
Molecular Weight288.68 g/mol
Exact Mass288.04
IUPAC Namemethyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)c(OC)cc2c1OCCO2
InChIInChI=1S/C12H13ClO6/c1-16-6-5-7-11(19-4-3-18-7)8(9(6)13)10(14)12(15)17-2/h5,10,14H,3-4H2,1-2H3
InChIKeyWGQXPQYGYNPBPE-UHFFFAOYSA-N
XLogP1.33
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate with MolForge

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Related Compounds

methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117357003
3-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117434365
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 117397885
1-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117392155
methyl 2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-hydroxyacetate
CID 117393530
methyl 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117491996
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 84704627
(E)-3-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 117392263
methyl 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374794
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate (CID 117466340) is methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate is COC(=O)C(O)c1c(Cl)c(OC)cc2c1OCCO2.
What is the InChIKey of methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate?
The InChIKey is WGQXPQYGYNPBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO6/c1-16-6-5-7-11(19-4-3-18-7)8(9(6)13)10(14)12(15)17-2/h5,10,14H,3-4H2,1-2H3.
What are the key properties of methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate?
methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate has a molecular weight of 288.68 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate is sourced from PubChem (CID 117466340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).