ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate

C13H11ClO3 — CID 73013854

IUPACethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(O)c2cc(Cl)ccc2c1
InChIInChI=1S/C13H11ClO3/c1-2-17-13(16)9-5-8-3-4-10(14)7-11(8)12(15)6-9/h3-7,15H,2H2,1H3
InChIKeyWOARMQBMOMSYHR-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.38
Rot. Bonds2

About ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate

ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate (PubChem CID 73013854) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
PubChem CID73013854
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Nameethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(O)c2cc(Cl)ccc2c1
InChIInChI=1S/C13H11ClO3/c1-2-17-13(16)9-5-8-3-4-10(14)7-11(8)12(15)6-9/h3-7,15H,2H2,1H3
InChIKeyWOARMQBMOMSYHR-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-hydroxy-6-methylsulfanylnaphthalene-2-carboxylate
CID 73013817
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CID 137117771
ethyl 1-hydroxyphenanthrene-3-carboxylate
CID 101488924
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
diethyl 7-methylnaphthalene-1,3-dicarboxylate
CID 11323625
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 3-bromo-4,5-dihydroxybenzoate
CID 118096682
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 7-chloro-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxylate
CID 54725308

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate (CID 73013854) is ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate is CCOC(=O)c1cc(O)c2cc(Cl)ccc2c1.
What is the InChIKey of ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate?
The InChIKey is WOARMQBMOMSYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-2-17-13(16)9-5-8-3-4-10(14)7-11(8)12(15)6-9/h3-7,15H,2H2,1H3.
What are the key properties of ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate?
ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate has a molecular weight of 250.68 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 73013854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).