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

C18H15BrO5 — CID 11618060

IUPAC1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
InChIInChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
InChIKeyJVIQXYQBYHGBQA-UHFFFAOYSA-N
MW391.22 g/mol
LogP4.69
Rot. Bonds5

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

1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone (PubChem CID 11618060) has the molecular formula C18H15BrO5 and a molecular weight of 391.22 g/mol. Its IUPAC name is 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
PubChem CID11618060
Molecular FormulaC18H15BrO5
Molecular Weight391.22 g/mol
Exact Mass390.01
IUPAC Name1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
InChIInChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
InChIKeyJVIQXYQBYHGBQA-UHFFFAOYSA-N
XLogP4.69
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 11226936
1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10289942
1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
CID 154183817
1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10175188
1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
CID 71328929
1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone
CID 59272429
1-[6-[7-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]heptoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 11467223
1-[6-(3-bromopropoxy)-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 59272425
1-[6-[5-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)sulfanyl]pentylsulfanyl]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10289836
1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone
CID 11849015
1-[6-[1-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)sulfanyl]butylsulfanyl]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 87874421
methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate
CID 10175165

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone (CID 11618060) is 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone is COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12.
What is the InChIKey of 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is JVIQXYQBYHGBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3.
What are the key properties of 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone?
1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 391.22 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 11618060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).