ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate

C14H12O4 — CID 53231119

IUPACethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H12O4/c1-2-18-14(17)13(16)11-4-3-10-8-12(15)6-5-9(10)7-11/h3-8,15H,2H2,1H3
InChIKeyQYSUXKRRLMFEAE-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.29
Rot. Bonds3

About ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate

ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate (PubChem CID 53231119) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
PubChem CID53231119
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Nameethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H12O4/c1-2-18-14(17)13(16)11-4-3-10-8-12(15)6-5-9(10)7-11/h3-8,15H,2H2,1H3
InChIKeyQYSUXKRRLMFEAE-UHFFFAOYSA-N
XLogP2.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
ethyl 2-(1-benzothiophen-5-yl)-2-oxoacetate
CID 56949853
[(2S)-2-methylbutyl] 6-hydroxynaphthalene-2-carboxylate
CID 54031748
ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
CID 24722247
ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate
CID 115072574
ethyl 2-(1,2-benzoxazol-5-yl)-2-oxoacetate
CID 117311787
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate
CID 20515140
ethyl 2-[4-(difluoromethyl)-3-fluorophenyl]-2-oxoacetate
CID 91658512
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
ethyl 2-(3-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 91657232
benzyl 2-naphthalen-2-yl-2-oxoacetate
CID 18370584

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate (CID 53231119) is ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate is CCOC(=O)C(=O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate?
The InChIKey is QYSUXKRRLMFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-2-18-14(17)13(16)11-4-3-10-8-12(15)6-5-9(10)7-11/h3-8,15H,2H2,1H3.
What are the key properties of ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate?
ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate has a molecular weight of 244.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate is sourced from PubChem (CID 53231119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).