1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone

C25H20O5 — CID 11849015

IUPAC1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1cc(C(C)=O)c(OCc2ccc(C(=O)c3ccccc3)cc2)c2ccoc12
InChIInChI=1S/C25H20O5/c1-16(26)21-14-22(28-2)25-20(12-13-29-25)24(21)30-15-17-8-10-19(11-9-17)23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyXKHMTHYZAPCLLC-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.45
Rot. Bonds7

About 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone

1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone (PubChem CID 11849015) has the molecular formula C25H20O5 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone
PubChem CID11849015
Molecular FormulaC25H20O5
Molecular Weight400.43 g/mol
Exact Mass400.13
IUPAC Name1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1cc(C(C)=O)c(OCc2ccc(C(=O)c3ccccc3)cc2)c2ccoc12
InChIInChI=1S/C25H20O5/c1-16(26)21-14-22(28-2)25-20(12-13-29-25)24(21)30-15-17-8-10-19(11-9-17)23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyXKHMTHYZAPCLLC-UHFFFAOYSA-N
XLogP5.45
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
CID 11848335
1-[4,7-bis(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
CID 11849138
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
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
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
CID 142441350
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
CID 11618060

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone (CID 11849015) is 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone is COc1cc(C(C)=O)c(OCc2ccc(C(=O)c3ccccc3)cc2)c2ccoc12.
What is the InChIKey of 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is XKHMTHYZAPCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O5/c1-16(26)21-14-22(28-2)25-20(12-13-29-25)24(21)30-15-17-8-10-19(11-9-17)23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3.
What are the key properties of 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone?
1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 400.43 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 11849015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).