ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate

C12H15ClO3 — CID 171005875

IUPACethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OC)c(Cl)c1C
InChIInChI=1S/C12H15ClO3/c1-4-16-11(14)7-9-5-6-10(15-3)12(13)8(9)2/h5-6H,4,7H2,1-3H3
InChIKeyRPHRNEONHYYSAQ-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate

ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate (PubChem CID 171005875) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
PubChem CID171005875
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OC)c(Cl)c1C
InChIInChI=1S/C12H15ClO3/c1-4-16-11(14)7-9-5-6-10(15-3)12(13)8(9)2/h5-6H,4,7H2,1-3H3
InChIKeyRPHRNEONHYYSAQ-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
CID 171001780
ethyl 2-(2-chloro-3-methoxy-6-methylphenyl)acetate
CID 171005738
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250
ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 171030260
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
ethyl 2-(2-cyano-3-fluoro-4-methoxyphenyl)acetate
CID 134653984
ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate?
The IUPAC name of ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate (CID 171005875) is ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate is CCOC(=O)Cc1ccc(OC)c(Cl)c1C.
What is the InChIKey of ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate?
The InChIKey is RPHRNEONHYYSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-16-11(14)7-9-5-6-10(15-3)12(13)8(9)2/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate?
ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate has a molecular weight of 242.70 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate is sourced from PubChem (CID 171005875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).