ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate

C12H15ClO3 — CID 156502828

IUPACethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Cl)cc1COC
InChIInChI=1S/C12H15ClO3/c1-3-16-12(14)7-9-4-5-11(13)6-10(9)8-15-2/h4-6H,3,7-8H2,1-2H3
InChIKeyOWFRKNWHLFSWKQ-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.59
Rot. Bonds5

About ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate

ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate (PubChem CID 156502828) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate
PubChem CID156502828
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Cl)cc1COC
InChIInChI=1S/C12H15ClO3/c1-3-16-12(14)7-9-4-5-11(13)6-10(9)8-15-2/h4-6H,3,7-8H2,1-2H3
InChIKeyOWFRKNWHLFSWKQ-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
CID 83885913
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
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ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033815
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
CID 171028434
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate (CID 156502828) is ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate is CCOC(=O)Cc1ccc(Cl)cc1COC.
What is the InChIKey of ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate?
The InChIKey is OWFRKNWHLFSWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-16-12(14)7-9-4-5-11(13)6-10(9)8-15-2/h4-6H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate?
ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate has a molecular weight of 242.70 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate is sourced from PubChem (CID 156502828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).