(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate

C14H17ClO4 — CID 23510829

IUPAC(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate
SMILESCCOC(=O)COC(=O)Cc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H17ClO4/c1-4-18-14(17)8-19-13(16)7-11-10(3)5-9(2)6-12(11)15/h5-6H,4,7-8H2,1-3H3
InChIKeyKGLNLCYPCBHRTA-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.61
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate

(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate (PubChem CID 23510829) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate
PubChem CID23510829
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate
SMILESCCOC(=O)COC(=O)Cc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H17ClO4/c1-4-18-14(17)8-19-13(16)7-11-10(3)5-9(2)6-12(11)15/h5-6H,4,7-8H2,1-3H3
InChIKeyKGLNLCYPCBHRTA-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate 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-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
ethyl 2-(2-chloro-6-methyl-4-nitrophenyl)acetate
CID 171028477
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate
CID 171006294
ethyl 2-(2,4-dimethyl-6-nitrophenyl)acetate
CID 134615202
ethyl 2-[2-(bromomethyl)-4-chloro-6-methylphenyl]acetate
CID 171013601
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-[4-bromo-2-(bromomethyl)-6-methylphenyl]acetate
CID 171006790
ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
CID 121228272
ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate
CID 134653188

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate (CID 23510829) is (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate is CCOC(=O)COC(=O)Cc1c(C)cc(C)cc1Cl.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate?
The InChIKey is KGLNLCYPCBHRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-4-18-14(17)8-19-13(16)7-11-10(3)5-9(2)6-12(11)15/h5-6H,4,7-8H2,1-3H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate?
(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate has a molecular weight of 284.74 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate is sourced from PubChem (CID 23510829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).