(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C22H18O6 — CID 66645277

IUPAC(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2coc3c2cc(O)c2ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H18O6/c1-25-18-8-12(9-19(26-2)22(18)27-3)20(24)16-11-28-21-14-7-5-4-6-13(14)17(23)10-15(16)21/h4-11,23H,1-3H3
InChIKeyPIEOWVIAJCFBGL-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.55
Rot. Bonds5

About (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 66645277) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID66645277
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2coc3c2cc(O)c2ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H18O6/c1-25-18-8-12(9-19(26-2)22(18)27-3)20(24)16-11-28-21-14-7-5-4-6-13(14)17(23)10-15(16)21/h4-11,23H,1-3H3
InChIKeyPIEOWVIAJCFBGL-UHFFFAOYSA-N
XLogP4.55
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968961
[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44580815
1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone
CID 23764551
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
[4-(2,3-dihydroxy-4-methoxybenzoyl)-2,6-dihydroxyphenyl] benzoate
CID 129260019
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone
CID 90489402
4-hydroxy-6-methoxybenzo[h]chromen-2-one
CID 54705476
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048

Frequently Asked Questions

What is the IUPAC name of (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 66645277) is (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2coc3c2cc(O)c2ccccc23)cc(OC)c1OC.
What is the InChIKey of (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PIEOWVIAJCFBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-25-18-8-12(9-19(26-2)22(18)27-3)20(24)16-11-28-21-14-7-5-4-6-13(14)17(23)10-15(16)21/h4-11,23H,1-3H3.
What are the key properties of (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 378.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 66645277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).