ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate

C15H16O4 — CID 3350774

IUPACethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(O)=CC(=O)CC1c1ccccc1
InChIInChI=1S/C15H16O4/c1-2-19-15(18)14-12(8-11(16)9-13(14)17)10-6-4-3-5-7-10/h3-7,9,12,14,17H,2,8H2,1H3
InChIKeyNUCIKJKECPWVFU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.36
Rot. Bonds3

About ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate

ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate (PubChem CID 3350774) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
PubChem CID3350774
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(O)=CC(=O)CC1c1ccccc1
InChIInChI=1S/C15H16O4/c1-2-19-15(18)14-12(8-11(16)9-13(14)17)10-6-4-3-5-7-10/h3-7,9,12,14,17H,2,8H2,1H3
InChIKeyNUCIKJKECPWVFU-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate (CID 3350774) is ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate is CCOC(=O)C1C(O)=CC(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate?
The InChIKey is NUCIKJKECPWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-19-15(18)14-12(8-11(16)9-13(14)17)10-6-4-3-5-7-10/h3-7,9,12,14,17H,2,8H2,1H3.
What are the key properties of ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate?
ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 3350774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).