[10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate

C36H28O6 — CID 71487861

IUPAC[10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate
SMILESCC(C)c1ccc2c(c1)OC1(OC(=O)/C=C/c3ccccc3)c3ccccc3C(=O)C21OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C36H28O6/c1-24(2)27-19-20-30-31(23-27)40-36(42-33(38)22-18-26-13-7-4-8-14-26)29-16-10-9-15-28(29)34(39)35(30,36)41-32(37)21-17-25-11-5-3-6-12-25/h3-24H,1-2H3/b21-17+,22-18+
InChIKeyVXWOYPSFQAVSIP-KSTNYAOJSA-N
MW556.61 g/mol
LogP6.96
Rot. Bonds7

About [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate

[10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate (PubChem CID 71487861) has the molecular formula C36H28O6 and a molecular weight of 556.61 g/mol. Its IUPAC name is [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate
PubChem CID71487861
Molecular FormulaC36H28O6
Molecular Weight556.61 g/mol
Exact Mass556.19
IUPAC Name[10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate
SMILESCC(C)c1ccc2c(c1)OC1(OC(=O)/C=C/c3ccccc3)c3ccccc3C(=O)C21OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C36H28O6/c1-24(2)27-19-20-30-31(23-27)40-36(42-33(38)22-18-26-13-7-4-8-14-26)29-16-10-9-15-28(29)34(39)35(30,36)41-32(37)21-17-25-11-5-3-6-12-25/h3-24H,1-2H3/b21-17+,22-18+
InChIKeyVXWOYPSFQAVSIP-KSTNYAOJSA-N
XLogP6.96
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.61
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097750
methyl N-[(4bS,9bS)-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl]carbamate
CID 140639208
1-[(4bS,9bS)-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl]-3-ethylurea
CID 90097606
1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 138660555
(4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate
CID 122606771
3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58112656
(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
CID 146007202
[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate
CID 66896982
benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 5044807
[1-amino-9b-(methylamino)-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-4b-yl] butanoate
CID 138662068
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148

Frequently Asked Questions

What is the IUPAC name of [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate (CID 71487861) is [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate is CC(C)c1ccc2c(c1)OC1(OC(=O)/C=C/c3ccccc3)c3ccccc3C(=O)C21OC(=O)/C=C/c1ccccc1.
What is the InChIKey of [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate?
The InChIKey is VXWOYPSFQAVSIP-KSTNYAOJSA-N. The full InChI is InChI=1S/C36H28O6/c1-24(2)27-19-20-30-31(23-27)40-36(42-33(38)22-18-26-13-7-4-8-14-26)29-16-10-9-15-28(29)34(39)35(30,36)41-32(37)21-17-25-11-5-3-6-12-25/h3-24H,1-2H3/b21-17+,22-18+.
What are the key properties of [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate?
[10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate has a molecular weight of 556.61 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 71487861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).