ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate

C19H18O4 — CID 10267389

IUPACethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(O)=CC(=O)CC1c1cccc2ccccc12
InChIInChI=1S/C19H18O4/c1-2-23-19(22)18-16(10-13(20)11-17(18)21)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,11,16,18,21H,2,10H2,1H3
InChIKeySBUBXACGQJSGPH-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.52
Rot. Bonds3

About ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate

ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate (PubChem CID 10267389) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate
PubChem CID10267389
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Nameethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(O)=CC(=O)CC1c1cccc2ccccc12
InChIInChI=1S/C19H18O4/c1-2-23-19(22)18-16(10-13(20)11-17(18)21)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,11,16,18,21H,2,10H2,1H3
InChIKeySBUBXACGQJSGPH-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-hydroxyphenyl)-6-naphthalen-1-yl-2-oxocyclohex-3-ene-1-carboxylate
CID 150005395
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
ethyl (1S,6S)-2-hydroxy-4-oxo-6-(4-pentoxyphenyl)cyclohex-2-ene-1-carboxylate
CID 6999359
methyl (1S,6S)-2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
CID 6943850
sodium;ethyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate;hydride
CID 175566850
ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 166125578
ethyl (4R)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691366
ethyl (4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909729
ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
CID 70454520
diethyl 3-methyl-5-oxocyclohex-3-ene-1,2-dicarboxylate
CID 132821028
ethyl 4,6-bis(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 91653457
ethyl (1S,6R)-6-(2,3-dimethoxyphenyl)-4-(3,5-dimethoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 99798530

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate (CID 10267389) is ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate is CCOC(=O)C1C(O)=CC(=O)CC1c1cccc2ccccc12.
What is the InChIKey of ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate?
The InChIKey is SBUBXACGQJSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-23-19(22)18-16(10-13(20)11-17(18)21)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,11,16,18,21H,2,10H2,1H3.
What are the key properties of ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate?
ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10267389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).