ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate

C15H21ClO3 — CID 105426760

IUPACethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H21ClO3/c1-6-18-14(17)15(4,5)11-7-8-13(12(16)9-11)19-10(2)3/h7-10H,6H2,1-5H3
InChIKeyCUUJEAXWXQMTFM-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.97
Rot. Bonds5

About ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate

ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate (PubChem CID 105426760) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
PubChem CID105426760
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H21ClO3/c1-6-18-14(17)15(4,5)11-7-8-13(12(16)9-11)19-10(2)3/h7-10H,6H2,1-5H3
InChIKeyCUUJEAXWXQMTFM-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
CID 105426766
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate
CID 105426673
1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
CID 82293995
ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate
CID 118647066
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
CID 112519805
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
ethyl 2-(4-amino-3-hydroxyphenyl)-2-methylpropanoate
CID 171524630
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate (CID 105426760) is ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate?
The InChIKey is CUUJEAXWXQMTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-6-18-14(17)15(4,5)11-7-8-13(12(16)9-11)19-10(2)3/h7-10H,6H2,1-5H3.
What are the key properties of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate?
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate has a molecular weight of 284.78 g/mol, XLogP of 3.97, 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-4-propan-2-yloxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 105426760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).