ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate

C15H21ClO3 — CID 82553188

IUPACethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)Cc1c(OC(C)C)cc(C)c(Cl)c1C
InChIInChI=1S/C15H21ClO3/c1-6-18-14(17)8-12-11(5)15(16)10(4)7-13(12)19-9(2)3/h7,9H,6,8H2,1-5H3
InChIKeyDXJDZHGFTDDVJE-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.85
Rot. Bonds5

About ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate

ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate (PubChem CID 82553188) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
PubChem CID82553188
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)Cc1c(OC(C)C)cc(C)c(Cl)c1C
InChIInChI=1S/C15H21ClO3/c1-6-18-14(17)8-12-11(5)15(16)10(4)7-13(12)19-9(2)3/h7,9H,6,8H2,1-5H3
InChIKeyDXJDZHGFTDDVJE-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)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-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
CID 82053386
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
CID 121228272
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-2-propan-2-ylsulfanylethanone
CID 82053390
(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
CID 82265287
ethyl 2-(2-chloro-3-methoxy-6-methylphenyl)acetate
CID 171005738
ethyl 2-[2-(bromomethyl)-4-chloro-6-methylphenyl]acetate
CID 171013601
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
2-ethyl-3,6-dimethyl-4-propan-2-yloxyphenol
CID 162375132
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate?
The IUPAC name of ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate (CID 82553188) is ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate?
The canonical SMILES for ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate is CCOC(=O)Cc1c(OC(C)C)cc(C)c(Cl)c1C.
What is the InChIKey of ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate?
The InChIKey is DXJDZHGFTDDVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-6-18-14(17)8-12-11(5)15(16)10(4)7-13(12)19-9(2)3/h7,9H,6,8H2,1-5H3.
What are the key properties of ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate?
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate has a molecular weight of 284.78 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 82553188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).