1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran

C29H24O2 — CID 25011551

IUPAC1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran
SMILESCC/C(=C/c1ccccc1OC)c1cc(-c2ccccc2)cc2oc3ccccc3c12
InChIInChI=1S/C29H24O2/c1-3-20(17-22-13-7-9-15-26(22)30-2)25-18-23(21-11-5-4-6-12-21)19-28-29(25)24-14-8-10-16-27(24)31-28/h4-19H,3H2,1-2H3/b20-17-
InChIKeyAWIWSIFUKWMBKM-JZJYNLBNSA-N
MW404.51 g/mol
LogP8.21
Rot. Bonds5

About 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran

1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran (PubChem CID 25011551) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran.

Molecular Properties

Compound Name1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran
PubChem CID25011551
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Name1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran
SMILESCC/C(=C/c1ccccc1OC)c1cc(-c2ccccc2)cc2oc3ccccc3c12
InChIInChI=1S/C29H24O2/c1-3-20(17-22-13-7-9-15-26(22)30-2)25-18-23(21-11-5-4-6-12-21)19-28-29(25)24-14-8-10-16-27(24)31-28/h4-19H,3H2,1-2H3/b20-17-
InChIKeyAWIWSIFUKWMBKM-JZJYNLBNSA-N
XLogP8.21
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran?
The IUPAC name of 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran (CID 25011551) is 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran.
What is the SMILES notation for 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran?
The canonical SMILES for 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran is CC/C(=C/c1ccccc1OC)c1cc(-c2ccccc2)cc2oc3ccccc3c12.
What is the InChIKey of 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran?
The InChIKey is AWIWSIFUKWMBKM-JZJYNLBNSA-N. The full InChI is InChI=1S/C29H24O2/c1-3-20(17-22-13-7-9-15-26(22)30-2)25-18-23(21-11-5-4-6-12-21)19-28-29(25)24-14-8-10-16-27(24)31-28/h4-19H,3H2,1-2H3/b20-17-.
What are the key properties of 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran?
1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran has a molecular weight of 404.51 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(2-methoxyphenyl)but-1-en-2-yl]-3-phenyldibenzofuran is sourced from PubChem (CID 25011551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).