methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate

C9H8Cl2O3 — CID 56978223

IUPACmethyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2O3/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8,12H,1H3
InChIKeyZIRDWWNAXJFVAZ-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate

methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate (PubChem CID 56978223) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate
PubChem CID56978223
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Namemethyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2O3/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8,12H,1H3
InChIKeyZIRDWWNAXJFVAZ-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
Ethyl mandelate
CID 13050
4-Chloromandelic acid
CID 10299
(+-)-Methyl mandelate
CID 78066
2-Chloromandelic acid
CID 97720
2,4-Dichloromandelic acid
CID 24198
(-)-2-Chloromandelic acid
CID 2733641
(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 2733127
3-Chloromandelic acid
CID 85981
methyl (2S)-2-hydroxy-2-phenylacetate
CID 643570
BAJ 2740-dihydroxy
CID 139597739

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate (CID 56978223) is methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate?
The InChIKey is ZIRDWWNAXJFVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8,12H,1H3.
What are the key properties of methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate?
methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate has a molecular weight of 235.07 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 56978223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).