5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol

C19H18O4 — CID 71307312

IUPAC5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol
SMILESCC(C)/C=C/c1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O
InChIInChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-11,20-22H,1-2H3/b6-3+
InChIKeyYVWWLJFWZOKLLA-ZZXKWVIFSA-N
MW310.35 g/mol
LogP4.89
Rot. Bonds3

About 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol

5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol (PubChem CID 71307312) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol
PubChem CID71307312
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol
SMILESCC(C)/C=C/c1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O
InChIInChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-11,20-22H,1-2H3/b6-3+
InChIKeyYVWWLJFWZOKLLA-ZZXKWVIFSA-N
XLogP4.89
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Bergamottin
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Wedelolactone
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Sulochrin
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Visnagin
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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol?
The IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol (CID 71307312) is 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol.
What is the SMILES notation for 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol?
The canonical SMILES for 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol is CC(C)/C=C/c1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O.
What is the InChIKey of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol?
The InChIKey is YVWWLJFWZOKLLA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-11,20-22H,1-2H3/b6-3+.
What are the key properties of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol?
5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol has a molecular weight of 310.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol is sourced from PubChem (CID 71307312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).