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

C19H18O3 — CID 14352596

IUPAC4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1cc(OC)c2oc(-c3ccc(O)cc3)c(C)c2c1
InChIInChI=1S/C19H18O3/c1-4-5-13-10-16-12(2)18(14-6-8-15(20)9-7-14)22-19(16)17(11-13)21-3/h4-11,20H,1-3H3/b5-4+
InChIKeyZXXUDRYOCINBKT-SNAWJCMRSA-N
MW294.35 g/mol
LogP5.16
Rot. Bonds3

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

4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (PubChem CID 14352596) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
PubChem CID14352596
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1cc(OC)c2oc(-c3ccc(O)cc3)c(C)c2c1
InChIInChI=1S/C19H18O3/c1-4-5-13-10-16-12(2)18(14-6-8-15(20)9-7-14)22-19(16)17(11-13)21-3/h4-11,20H,1-3H3/b5-4+
InChIKeyZXXUDRYOCINBKT-SNAWJCMRSA-N
XLogP5.16
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The IUPAC name of 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (CID 14352596) is 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The canonical SMILES for 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is C/C=C/c1cc(OC)c2oc(-c3ccc(O)cc3)c(C)c2c1.
What is the InChIKey of 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The InChIKey is ZXXUDRYOCINBKT-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-5-13-10-16-12(2)18(14-6-8-15(20)9-7-14)22-19(16)17(11-13)21-3/h4-11,20H,1-3H3/b5-4+.
What are the key properties of 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol has a molecular weight of 294.35 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 14352596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).