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

C16H14O3 — CID 117185001

IUPAC4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
SMILESCc1ccc2occ(COc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H14O3/c1-11-2-7-16-15(8-11)12(10-19-16)9-18-14-5-3-13(17)4-6-14/h2-8,10,17H,9H2,1H3
InChIKeyCKLILNQZJFDTKC-UHFFFAOYSA-N
MW254.29 g/mol
LogP4.03
Rot. Bonds3

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

4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol (PubChem CID 117185001) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
PubChem CID117185001
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
SMILESCc1ccc2occ(COc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H14O3/c1-11-2-7-16-15(8-11)12(10-19-16)9-18-14-5-3-13(17)4-6-14/h2-8,10,17H,9H2,1H3
InChIKeyCKLILNQZJFDTKC-UHFFFAOYSA-N
XLogP4.03
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol?
The IUPAC name of 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol (CID 117185001) is 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol.
What is the SMILES notation for 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol?
The canonical SMILES for 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol is Cc1ccc2occ(COc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol?
The InChIKey is CKLILNQZJFDTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-2-7-16-15(8-11)12(10-19-16)9-18-14-5-3-13(17)4-6-14/h2-8,10,17H,9H2,1H3.
What are the key properties of 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol?
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol has a molecular weight of 254.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol is sourced from PubChem (CID 117185001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).