methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate

C9H9ClO4 — CID 117308533

IUPACmethyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(O)ccc1Cl
InChIInChI=1S/C9H9ClO4/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8,11-12H,1H3
InChIKeyMDQFNXCBKYOPQV-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.25
Rot. Bonds2

About methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate

methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117308533) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117308533
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Namemethyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(O)ccc1Cl
InChIInChI=1S/C9H9ClO4/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8,11-12H,1H3
InChIKeyMDQFNXCBKYOPQV-UHFFFAOYSA-N
XLogP1.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863662
3-(2-amino-1-hydroxypropyl)-4-chlorophenol
CID 84670328
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
methyl 2-(6-chloro-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 22467215
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate
CID 117369181
methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
methyl 3-(2-chloro-5-methylphenyl)-2,3-dihydroxypropanoate
CID 171863608
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate (CID 117308533) is methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(O)ccc1Cl.
What is the InChIKey of methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is MDQFNXCBKYOPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8,11-12H,1H3.
What are the key properties of methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate?
methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 216.62 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117308533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).