2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol

C20H20O4 — CID 10314175

IUPAC2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1cc(OC)c2oc(-c3ccc(O)c(OC)c3)c(C)c2c1
InChIInChI=1S/C20H20O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-11,21H,1-4H3/b6-5+
InChIKeyFMRNCDXSOOJISX-AATRIKPKSA-N
MW324.38 g/mol
LogP5.16
Rot. Bonds4

About 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol

2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (PubChem CID 10314175) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
PubChem CID10314175
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1cc(OC)c2oc(-c3ccc(O)c(OC)c3)c(C)c2c1
InChIInChI=1S/C20H20O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-11,21H,1-4H3/b6-5+
InChIKeyFMRNCDXSOOJISX-AATRIKPKSA-N
XLogP5.16
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (CID 10314175) is 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is C/C=C/c1cc(OC)c2oc(-c3ccc(O)c(OC)c3)c(C)c2c1.
What is the InChIKey of 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The InChIKey is FMRNCDXSOOJISX-AATRIKPKSA-N. The full InChI is InChI=1S/C20H20O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-11,21H,1-4H3/b6-5+.
What are the key properties of 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 10314175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).