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

C20H12Cl2O4 — CID 91939012

IUPAC[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1coc2ccc(OCc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C20H12Cl2O4/c21-13-4-3-12(17(22)8-13)10-25-14-5-6-18-15(9-14)16(11-26-18)20(23)19-2-1-7-24-19/h1-9,11H,10H2
InChIKeyLPQJMBYAACUUKW-UHFFFAOYSA-N
MW387.22 g/mol
LogP6.14
Rot. Bonds5

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

[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone (PubChem CID 91939012) has the molecular formula C20H12Cl2O4 and a molecular weight of 387.22 g/mol. Its IUPAC name is [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
PubChem CID91939012
Molecular FormulaC20H12Cl2O4
Molecular Weight387.22 g/mol
Exact Mass386.01
IUPAC Name[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1coc2ccc(OCc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C20H12Cl2O4/c21-13-4-3-12(17(22)8-13)10-25-14-5-6-18-15(9-14)16(11-26-18)20(23)19-2-1-7-24-19/h1-9,11H,10H2
InChIKeyLPQJMBYAACUUKW-UHFFFAOYSA-N
XLogP6.14
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.22
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939011
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
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
2-[(2,4-dichlorophenyl)methoxy]furan
CID 170647412
[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 21373665
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide
CID 21380054
[2-amino-3-cyano-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-4H-chromen-7-yl] furan-2-carboxylate
CID 19126327
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide
CID 99804895
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
6-[(2,4-dichlorophenyl)methoxy]-2-(furan-2-ylmethylidene)-1-benzofuran-3-one
CID 4301939
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
CID 174407776

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone (CID 91939012) is [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1coc2ccc(OCc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
The InChIKey is LPQJMBYAACUUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O4/c21-13-4-3-12(17(22)8-13)10-25-14-5-6-18-15(9-14)16(11-26-18)20(23)19-2-1-7-24-19/h1-9,11H,10H2.
What are the key properties of [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone?
[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone has a molecular weight of 387.22 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 91939012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).