[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone

C20H13BrO4 — CID 91939011

IUPAC[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1coc2ccc(OCc3ccc(Br)cc3)cc12
InChIInChI=1S/C20H13BrO4/c21-14-5-3-13(4-6-14)11-24-15-7-8-18-16(10-15)17(12-25-18)20(22)19-2-1-9-23-19/h1-10,12H,11H2
InChIKeyLLVFXEUMKSQQDW-UHFFFAOYSA-N
MW397.22 g/mol
LogP5.60
Rot. Bonds5

About [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone

[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone (PubChem CID 91939011) has the molecular formula C20H13BrO4 and a molecular weight of 397.22 g/mol. Its IUPAC name is [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
PubChem CID91939011
Molecular FormulaC20H13BrO4
Molecular Weight397.22 g/mol
Exact Mass396.00
IUPAC Name[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1coc2ccc(OCc3ccc(Br)cc3)cc12
InChIInChI=1S/C20H13BrO4/c21-14-5-3-13(4-6-14)11-24-15-7-8-18-16(10-15)17(12-25-18)20(22)19-2-1-9-23-19/h1-10,12H,11H2
InChIKeyLLVFXEUMKSQQDW-UHFFFAOYSA-N
XLogP5.60
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.22
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939012
2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-piperidin-1-ylethanone
CID 91938984
N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide
CID 90489438
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
CID 174407776
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide
CID 99804895
5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid
CID 163380011
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
3-[(4-bromophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2891561
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
CID 91863632

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone (CID 91939011) is [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1coc2ccc(OCc3ccc(Br)cc3)cc12.
What is the InChIKey of [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
The InChIKey is LLVFXEUMKSQQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO4/c21-14-5-3-13(4-6-14)11-24-15-7-8-18-16(10-15)17(12-25-18)20(22)19-2-1-9-23-19/h1-10,12H,11H2.
What are the key properties of [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone has a molecular weight of 397.22 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 91939011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).