2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol

C18H16O4 — CID 25131510

IUPAC2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c3occc3c2)cc1O
InChIInChI=1S/C18H16O4/c1-20-16-6-5-12(10-15(16)19)3-4-13-9-14-7-8-22-18(14)17(11-13)21-2/h3-11,19H,1-2H3/b4-3-
InChIKeyCJJVPCGZKVXLAD-ARJAWSKDSA-N
MW296.32 g/mol
LogP4.33
Rot. Bonds4

About 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol

2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol (PubChem CID 25131510) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol
PubChem CID25131510
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c3occc3c2)cc1O
InChIInChI=1S/C18H16O4/c1-20-16-6-5-12(10-15(16)19)3-4-13-9-14-7-8-22-18(14)17(11-13)21-2/h3-11,19H,1-2H3/b4-3-
InChIKeyCJJVPCGZKVXLAD-ARJAWSKDSA-N
XLogP4.33
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.33
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 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol?
The IUPAC name of 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol (CID 25131510) is 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol?
The canonical SMILES for 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol is COc1ccc(/C=C\c2cc(OC)c3occc3c2)cc1O.
What is the InChIKey of 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol?
The InChIKey is CJJVPCGZKVXLAD-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-16-6-5-12(10-15(16)19)3-4-13-9-14-7-8-22-18(14)17(11-13)21-2/h3-11,19H,1-2H3/b4-3-.
What are the key properties of 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol?
2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol has a molecular weight of 296.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol is sourced from PubChem (CID 25131510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).