ethyl 3-chloronaphthalene-2-carboxylate

C13H11ClO2 — CID 90487598

IUPACethyl 3-chloronaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C13H11ClO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2H2,1H3
InChIKeyGACQYNJVTVKCIB-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.67
Rot. Bonds2

About ethyl 3-chloronaphthalene-2-carboxylate

ethyl 3-chloronaphthalene-2-carboxylate (PubChem CID 90487598) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is ethyl 3-chloronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloronaphthalene-2-carboxylate
PubChem CID90487598
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Nameethyl 3-chloronaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C13H11ClO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2H2,1H3
InChIKeyGACQYNJVTVKCIB-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
3-ethoxycarbonylnaphthalene-2-diazonium
CID 3698524
ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
tert-butyl 3-chloronaphthalene-2-carboxylate
CID 133063668
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
ethyl 3-(acetyloxymethyl)pentacene-2-carboxylate
CID 122214946
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
ethyl 4-amino-5-bromo-2-chlorobenzoate
CID 171016700

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloronaphthalene-2-carboxylate?
The IUPAC name of ethyl 3-chloronaphthalene-2-carboxylate (CID 90487598) is ethyl 3-chloronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 3-chloronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 3-chloronaphthalene-2-carboxylate is CCOC(=O)c1cc2ccccc2cc1Cl.
What is the InChIKey of ethyl 3-chloronaphthalene-2-carboxylate?
The InChIKey is GACQYNJVTVKCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-chloronaphthalene-2-carboxylate?
ethyl 3-chloronaphthalene-2-carboxylate has a molecular weight of 234.68 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloronaphthalene-2-carboxylate is sourced from PubChem (CID 90487598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).