methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate

C15H11Cl2FO3 — CID 58434012

IUPACmethyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FO3/c1-21-15(20)14(19)12-3-2-11(18)7-13(12)8-4-9(16)6-10(17)5-8/h2-7,14,19H,1H3
InChIKeyXKZAETAYVMMZOY-UHFFFAOYSA-N
MW329.15 g/mol
LogP4.01
Rot. Bonds3

About methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate

methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate (PubChem CID 58434012) has the molecular formula C15H11Cl2FO3 and a molecular weight of 329.15 g/mol. Its IUPAC name is methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate
PubChem CID58434012
Molecular FormulaC15H11Cl2FO3
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Namemethyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FO3/c1-21-15(20)14(19)12-3-2-11(18)7-13(12)8-4-9(16)6-10(17)5-8/h2-7,14,19H,1H3
InChIKeyXKZAETAYVMMZOY-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
BAJ 2740-dihydroxy
CID 139597739
Dichlorflurenol-methyl
CID 619330
Methyl 2-(3-chlorophenyl)-2-hydroxyacetate
CID 14916085
2-(3,5-Dichlorophenyl)-2-hydroxyacetic acid
CID 21191143
Methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate
CID 56978223
Ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
2-(3-Chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 79021854
2-(3-Chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 83441466
2-(3-Chloro-2,4-difluorophenyl)-2-hydroxyacetic acid
CID 117318816
3-Chloro-4-cyclohexylphenylglycolic acid
CID 3017090

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate (CID 58434012) is methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate is COC(=O)C(O)c1ccc(F)cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate?
The InChIKey is XKZAETAYVMMZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO3/c1-21-15(20)14(19)12-3-2-11(18)7-13(12)8-4-9(16)6-10(17)5-8/h2-7,14,19H,1H3.
What are the key properties of methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate?
methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate has a molecular weight of 329.15 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-hydroxyacetate is sourced from PubChem (CID 58434012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).