2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol

C17H16O3 — CID 14570888

IUPAC2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3cccc(O)c3c2C)cc1
InChIInChI=1S/C17H16O3/c1-11-16(10-12-6-8-13(19-2)9-7-12)20-15-5-3-4-14(18)17(11)15/h3-9,18H,10H2,1-2H3
InChIKeyLYKVNPSSJWCYFQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.05
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol

2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (PubChem CID 14570888) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
PubChem CID14570888
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3cccc(O)c3c2C)cc1
InChIInChI=1S/C17H16O3/c1-11-16(10-12-6-8-13(19-2)9-7-12)20-15-5-3-4-14(18)17(11)15/h3-9,18H,10H2,1-2H3
InChIKeyLYKVNPSSJWCYFQ-UHFFFAOYSA-N
XLogP4.05
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (CID 14570888) is 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol is COc1ccc(Cc2oc3cccc(O)c3c2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The InChIKey is LYKVNPSSJWCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-16(10-12-6-8-13(19-2)9-7-12)20-15-5-3-4-14(18)17(11)15/h3-9,18H,10H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol has a molecular weight of 268.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).