methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate

C19H18O3 — CID 14434450

IUPACmethyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(O)C=CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O3/c1-22-17(20)19(21)14-8-13-18(19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-12,14,21H,13H2,1H3
InChIKeyQDXRSSZDAJANKJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.84
Rot. Bonds3

About methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate

methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate (PubChem CID 14434450) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
PubChem CID14434450
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namemethyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(O)C=CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O3/c1-22-17(20)19(21)14-8-13-18(19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-12,14,21H,13H2,1H3
InChIKeyQDXRSSZDAJANKJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate (CID 14434450) is methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate is COC(=O)C1(O)C=CCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate?
The InChIKey is QDXRSSZDAJANKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-22-17(20)19(21)14-8-13-18(19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-12,14,21H,13H2,1H3.
What are the key properties of methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate?
methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 14434450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).