ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate

C13H17ClO2 — CID 82551011

IUPACethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cc(C)c(Cl)c1C
InChIInChI=1S/C13H17ClO2/c1-5-16-12(15)7-11-8(2)6-9(3)13(14)10(11)4/h6H,5,7H2,1-4H3
InChIKeyYPKZCSXPVSYKQP-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.37
Rot. Bonds3

About ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate

ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate (PubChem CID 82551011) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
PubChem CID82551011
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cc(C)c(Cl)c1C
InChIInChI=1S/C13H17ClO2/c1-5-16-12(15)7-11-8(2)6-9(3)13(14)10(11)4/h6H,5,7H2,1-4H3
InChIKeyYPKZCSXPVSYKQP-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
ethyl 2-[3-(chloromethyl)-2,6-dimethylphenyl]acetate
CID 171019746
ethyl 2-[2-(bromomethyl)-4-chloro-6-methylphenyl]acetate
CID 171013601
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815
ethyl 2-[4-(chloromethyl)-2-fluoro-6-methylphenyl]acetate
CID 171020315
(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate
CID 23510829
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate
CID 171006294
ethyl 2-(2-chloro-6-methyl-4-nitrophenyl)acetate
CID 171028477
ethyl 2-(2-chloro-3-methoxy-6-methylphenyl)acetate
CID 171005738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate?
The IUPAC name of ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate (CID 82551011) is ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate?
The canonical SMILES for ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate is CCOC(=O)Cc1c(C)cc(C)c(Cl)c1C.
What is the InChIKey of ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate?
The InChIKey is YPKZCSXPVSYKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-5-16-12(15)7-11-8(2)6-9(3)13(14)10(11)4/h6H,5,7H2,1-4H3.
What are the key properties of ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate?
ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate has a molecular weight of 240.73 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 82551011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).