ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate

C16H17ClO3 — CID 58244182

IUPACethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H17ClO3/c1-4-19-15(18)16(2,3)20-14-10-9-13(17)11-7-5-6-8-12(11)14/h5-10H,4H2,1-3H3
InChIKeyAKSBCOFOFLZPRO-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.21
Rot. Bonds4

About ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate

ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate (PubChem CID 58244182) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate
PubChem CID58244182
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H17ClO3/c1-4-19-15(18)16(2,3)20-14-10-9-13(17)11-7-5-6-8-12(11)14/h5-10H,4H2,1-3H3
InChIKeyAKSBCOFOFLZPRO-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate
CID 66452638
2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanehydrazide;hydrochloride
CID 67024400
ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
CID 142191892
ethyl 2-(2-chloro-4-nitrophenoxy)-2-methylpropanoate
CID 17370896
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate
CID 70676553
ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate
CID 71192492
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
ethyl 2-(4-formyl-2-methylphenoxy)-2-methylpropanoate
CID 18448413
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate (CID 58244182) is ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate?
The InChIKey is AKSBCOFOFLZPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-4-19-15(18)16(2,3)20-14-10-9-13(17)11-7-5-6-8-12(11)14/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate?
ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate has a molecular weight of 292.76 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate is sourced from PubChem (CID 58244182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).