4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

C30H26O4 — CID 70677300

IUPAC4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
SMILESCOc1ccc(/C=C/c2ccc3c(c2)[C@@H](c2ccc(OC)cc2)[C@H](c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C30H26O4/c1-32-25-14-5-20(6-15-25)3-4-21-7-18-28-27(19-21)29(22-10-16-26(33-2)17-11-22)30(34-28)23-8-12-24(31)13-9-23/h3-19,29-31H,1-2H3/b4-3+/t29-,30+/m1/s1
InChIKeyWOXTXHGEZDZTLT-CJWQTPIZSA-N
MW450.53 g/mol
LogP6.85
Rot. Bonds6

About 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol (PubChem CID 70677300) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
PubChem CID70677300
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
SMILESCOc1ccc(/C=C/c2ccc3c(c2)[C@@H](c2ccc(OC)cc2)[C@H](c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C30H26O4/c1-32-25-14-5-20(6-15-25)3-4-21-7-18-28-27(19-21)29(22-10-16-26(33-2)17-11-22)30(34-28)23-8-12-24(31)13-9-23/h3-19,29-31H,1-2H3/b4-3+/t29-,30+/m1/s1
InChIKeyWOXTXHGEZDZTLT-CJWQTPIZSA-N
XLogP6.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?
The IUPAC name of 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol (CID 70677300) is 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?
The canonical SMILES for 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol is COc1ccc(/C=C/c2ccc3c(c2)[C@@H](c2ccc(OC)cc2)[C@H](c2ccc(O)cc2)O3)cc1.
What is the InChIKey of 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?
The InChIKey is WOXTXHGEZDZTLT-CJWQTPIZSA-N. The full InChI is InChI=1S/C30H26O4/c1-32-25-14-5-20(6-15-25)3-4-21-7-18-28-27(19-21)29(22-10-16-26(33-2)17-11-22)30(34-28)23-8-12-24(31)13-9-23/h3-19,29-31H,1-2H3/b4-3+/t29-,30+/m1/s1.
What are the key properties of 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?
4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol has a molecular weight of 450.53 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 70677300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).