4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol

C21H16O2 — CID 10780577

IUPAC4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol
SMILESCc1ccc2occ(-c3ccc(-c4ccc(O)cc4)cc3)c2c1
InChIInChI=1S/C21H16O2/c1-14-2-11-21-19(12-14)20(13-23-21)17-5-3-15(4-6-17)16-7-9-18(22)10-8-16/h2-13,22H,1H3
InChIKeyRDNNUCKJPQKXHR-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.78
Rot. Bonds2

About 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol

4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol (PubChem CID 10780577) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol
PubChem CID10780577
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol
SMILESCc1ccc2occ(-c3ccc(-c4ccc(O)cc4)cc3)c2c1
InChIInChI=1S/C21H16O2/c1-14-2-11-21-19(12-14)20(13-23-21)17-5-3-15(4-6-17)16-7-9-18(22)10-8-16/h2-13,22H,1H3
InChIKeyRDNNUCKJPQKXHR-UHFFFAOYSA-N
XLogP5.78
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol?
The IUPAC name of 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol (CID 10780577) is 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol.
What is the SMILES notation for 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol?
The canonical SMILES for 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol is Cc1ccc2occ(-c3ccc(-c4ccc(O)cc4)cc3)c2c1.
What is the InChIKey of 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol?
The InChIKey is RDNNUCKJPQKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c1-14-2-11-21-19(12-14)20(13-23-21)17-5-3-15(4-6-17)16-7-9-18(22)10-8-16/h2-13,22H,1H3.
What are the key properties of 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol?
4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol has a molecular weight of 300.36 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol is sourced from PubChem (CID 10780577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).