3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one

C16H14O4 — CID 3261908

IUPAC3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
SMILESCOc1ccc(C(O)C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C16H14O4/c1-19-11-8-6-10(7-9-11)14(17)15-12-4-2-3-5-13(12)16(18)20-15/h2-9,14-15,17H,1H3
InChIKeyVKOKQEAYGZXSSI-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.64
Rot. Bonds3

About 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one

3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one (PubChem CID 3261908) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
PubChem CID3261908
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
SMILESCOc1ccc(C(O)C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C16H14O4/c1-19-11-8-6-10(7-9-11)14(17)15-12-4-2-3-5-13(12)16(18)20-15/h2-9,14-15,17H,1H3
InChIKeyVKOKQEAYGZXSSI-UHFFFAOYSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one (CID 3261908) is 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one is COc1ccc(C(O)C2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
The InChIKey is VKOKQEAYGZXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-11-8-6-10(7-9-11)14(17)15-12-4-2-3-5-13(12)16(18)20-15/h2-9,14-15,17H,1H3.
What are the key properties of 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one has a molecular weight of 270.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3261908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).