ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate

C18H16O3 — CID 91727179

IUPACethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1(O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-21-17(19)18(20)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14/h3-12,20H,2H2,1H3
InChIKeyYDOFUFVLCBQXDG-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.91
Rot. Bonds4

About ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate

ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate (PubChem CID 91727179) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate
PubChem CID91727179
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Nameethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1(O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-21-17(19)18(20)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14/h3-12,20H,2H2,1H3
InChIKeyYDOFUFVLCBQXDG-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclandelate
CID 2893
Benactyzine
CID 9330
Benzilic acid
CID 6463
Ethyl mandelate
CID 13050
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Atrolactic acid
CID 1303
Methyl benzilate
CID 66159
(S)-Atrolactic acid
CID 445144
(+-)-Methyl mandelate
CID 78066
Flurenol-butyl
CID 40816
Ethanaminium, 2-((2-hydroxy-2,2-diphenylacetyl)oxy)-N,N,N-trimethyl-, iodide (1:1)
CID 71518
Ethyl phenyllactate, (+-)-
CID 6429708

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate (CID 91727179) is ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate is CCOC(=O)C1(O)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate?
The InChIKey is YDOFUFVLCBQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-21-17(19)18(20)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14/h3-12,20H,2H2,1H3.
What are the key properties of ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate?
ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-2,3-diphenylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 91727179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).