4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol

C19H14O3 — CID 45482690

IUPAC4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol
SMILESCc1ccc(-c2ccc3occ(-c4ccc(O)cc4)c3c2)o1
InChIInChI=1S/C19H14O3/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11,20H,1H3
InChIKeyYPIFGDIJJZETGV-UHFFFAOYSA-N
MW290.32 g/mol
LogP5.37
Rot. Bonds2

About 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol

4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol (PubChem CID 45482690) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol
PubChem CID45482690
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol
SMILESCc1ccc(-c2ccc3occ(-c4ccc(O)cc4)c3c2)o1
InChIInChI=1S/C19H14O3/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11,20H,1H3
InChIKeyYPIFGDIJJZETGV-UHFFFAOYSA-N
XLogP5.37
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.32
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol?
The IUPAC name of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol (CID 45482690) is 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol.
What is the SMILES notation for 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol?
The canonical SMILES for 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol is Cc1ccc(-c2ccc3occ(-c4ccc(O)cc4)c3c2)o1.
What is the InChIKey of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol?
The InChIKey is YPIFGDIJJZETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11,20H,1H3.
What are the key properties of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol?
4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol has a molecular weight of 290.32 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenol is sourced from PubChem (CID 45482690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).