ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate

C11H13ClO3 — CID 117329427

IUPACethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C11H13ClO3/c1-3-15-11(14)10(13)8-4-7(2)5-9(12)6-8/h4-6,10,13H,3H2,1-2H3
InChIKeyUMMCAEQHCKEKAW-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.24
Rot. Bonds3

About ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate

ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate (PubChem CID 117329427) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
PubChem CID117329427
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C11H13ClO3/c1-3-15-11(14)10(13)8-4-7(2)5-9(12)6-8/h4-6,10,13H,3H2,1-2H3
InChIKeyUMMCAEQHCKEKAW-UHFFFAOYSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
ethyl 2-(3-chloro-5-methylsulfonylphenyl)-2-hydroxyacetate
CID 117472663
ethyl (3S)-3-amino-3-(3-chloro-5-methylphenyl)propanoate
CID 140851212
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetate
CID 117420956
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
ethyl 2-[(3,5-dichlorophenyl)-hydroxymethyl]prop-2-enoate
CID 118722954
1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
CID 115818780
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 2-(3-chloro-4,5-difluorophenyl)-2-hydroxyacetate
CID 117379961
ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117358770
ethyl 2-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117374774

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate (CID 117329427) is ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(C)cc(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
The InChIKey is UMMCAEQHCKEKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-3-15-11(14)10(13)8-4-7(2)5-9(12)6-8/h4-6,10,13H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate has a molecular weight of 228.67 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117329427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).