ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate

C10H11ClO4 — CID 117333177

IUPACethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(Cl)c1O
InChIInChI=1S/C10H11ClO4/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5,9,12-13H,2H2,1H3
InChIKeyPVBRQZABGXHAJE-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.64
Rot. Bonds3

About ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate

ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117333177) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117333177
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Nameethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(Cl)c1O
InChIInChI=1S/C10H11ClO4/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5,9,12-13H,2H2,1H3
InChIKeyPVBRQZABGXHAJE-UHFFFAOYSA-N
XLogP1.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
ethyl 2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117383969
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
ethyl (E)-2-[(2-chlorophenyl)-hydroxymethyl]but-2-enoate
CID 118722964
ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
CID 117352981
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
diethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]propanedioate
CID 62393511
ethyl 2-(2-amino-3-chlorophenyl)butanoate
CID 106988100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate (CID 117333177) is ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(Cl)c1O.
What is the InChIKey of ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is PVBRQZABGXHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5,9,12-13H,2H2,1H3.
What are the key properties of ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate?
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 230.65 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117333177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).