1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone

C18H15ClO5 — CID 11695929

IUPAC1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
InChIInChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
InChIKeyDPURAGOSIHFKPV-UHFFFAOYSA-N
MW346.77 g/mol
LogP4.58
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone

1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone (PubChem CID 11695929) has the molecular formula C18H15ClO5 and a molecular weight of 346.77 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
PubChem CID11695929
Molecular FormulaC18H15ClO5
Molecular Weight346.77 g/mol
Exact Mass346.06
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
InChIInChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
InChIKeyDPURAGOSIHFKPV-UHFFFAOYSA-N
XLogP4.58
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone (CID 11695929) is 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone is COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is DPURAGOSIHFKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 346.77 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 11695929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).