2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate

C24H26O5 — CID 175934339

IUPAC2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
SMILESC=CC(=O)OCC(c1ccccc1)c1ccccc1.C=CCOCOC(=O)C=C
InChIInChI=1S/C17H16O2.C7H10O3/c1-2-17(18)19-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-3-5-9-6-10-7(8)4-2/h2-12,16H,1,13H2;3-4H,1-2,5-6H2
InChIKeyHUBOPYHGGBLHDV-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.42
Rot. Bonds10

About 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate

2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate (PubChem CID 175934339) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate.

Molecular Properties

Compound Name2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
PubChem CID175934339
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
SMILESC=CC(=O)OCC(c1ccccc1)c1ccccc1.C=CCOCOC(=O)C=C
InChIInChI=1S/C17H16O2.C7H10O3/c1-2-17(18)19-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-3-5-9-6-10-7(8)4-2/h2-12,16H,1,13H2;3-4H,1-2,5-6H2
InChIKeyHUBOPYHGGBLHDV-UHFFFAOYSA-N
XLogP4.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate?
The IUPAC name of 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate (CID 175934339) is 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate.
What is the SMILES notation for 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate?
The canonical SMILES for 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate is C=CC(=O)OCC(c1ccccc1)c1ccccc1.C=CCOCOC(=O)C=C.
What is the InChIKey of 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate?
The InChIKey is HUBOPYHGGBLHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2.C7H10O3/c1-2-17(18)19-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-3-5-9-6-10-7(8)4-2/h2-12,16H,1,13H2;3-4H,1-2,5-6H2.
What are the key properties of 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate?
2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate has a molecular weight of 394.47 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate is sourced from PubChem (CID 175934339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).