2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid

C23H18O5 — CID 153284807

IUPAC2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid
SMILESC=CCOc1cc(C(=O)O)cc2c1OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C23H18O5/c1-2-13-26-19-14-16(22(24)25)15-20-21(19)28-23(27-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,14-15H,1,13H2,(H,24,25)
InChIKeyLSZXSPYHEJXVSI-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.62
Rot. Bonds6

About 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid

2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid (PubChem CID 153284807) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid.

Molecular Properties

Compound Name2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid
PubChem CID153284807
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid
SMILESC=CCOc1cc(C(=O)O)cc2c1OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C23H18O5/c1-2-13-26-19-14-16(22(24)25)15-20-21(19)28-23(27-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,14-15H,1,13H2,(H,24,25)
InChIKeyLSZXSPYHEJXVSI-UHFFFAOYSA-N
XLogP4.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid?
The IUPAC name of 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid (CID 153284807) is 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid.
What is the SMILES notation for 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid?
The canonical SMILES for 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid is C=CCOc1cc(C(=O)O)cc2c1OC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid?
The InChIKey is LSZXSPYHEJXVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-2-13-26-19-14-16(22(24)25)15-20-21(19)28-23(27-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,14-15H,1,13H2,(H,24,25).
What are the key properties of 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid?
2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid has a molecular weight of 374.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylic acid is sourced from PubChem (CID 153284807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).