(6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone

C17H12Cl2O5 — CID 1208158

IUPAC(6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2coc3c(Cl)c(Cl)c(O)cc23)c1
InChIInChI=1S/C17H12Cl2O5/c1-22-8-3-4-13(23-2)10(5-8)16(21)11-7-24-17-9(11)6-12(20)14(18)15(17)19/h3-7,20H,1-2H3
InChIKeyFJALQOWZASPGNS-UHFFFAOYSA-N
MW367.18 g/mol
LogP4.69
Rot. Bonds4

About (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone

(6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 1208158) has the molecular formula C17H12Cl2O5 and a molecular weight of 367.18 g/mol. Its IUPAC name is (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone
PubChem CID1208158
Molecular FormulaC17H12Cl2O5
Molecular Weight367.18 g/mol
Exact Mass366.01
IUPAC Name(6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2coc3c(Cl)c(Cl)c(O)cc23)c1
InChIInChI=1S/C17H12Cl2O5/c1-22-8-3-4-13(23-2)10(5-8)16(21)11-7-24-17-9(11)6-12(20)14(18)15(17)19/h3-7,20H,1-2H3
InChIKeyFJALQOWZASPGNS-UHFFFAOYSA-N
XLogP4.69
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6,7-dichloro-5-hydroxy-1-benzofuran-3-carbonyl)phenoxy]acetic acid
CID 66645276
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 66804747
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
(2,5-dimethoxyphenyl)-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]methanone
CID 1246006
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 66645277

Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone (CID 1208158) is (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2coc3c(Cl)c(Cl)c(O)cc23)c1.
What is the InChIKey of (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is FJALQOWZASPGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O5/c1-22-8-3-4-13(23-2)10(5-8)16(21)11-7-24-17-9(11)6-12(20)14(18)15(17)19/h3-7,20H,1-2H3.
What are the key properties of (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone?
(6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 367.18 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-5-hydroxy-1-benzofuran-3-yl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 1208158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).