(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone

C19H18O4 — CID 67968961

IUPAC(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2coc3c(O)c(C)ccc23)cc(C)c1C
InChIInChI=1S/C19H18O4/c1-10-5-6-14-15(9-23-19(14)17(10)20)18(21)13-7-11(2)12(3)16(8-13)22-4/h5-9,20H,1-4H3
InChIKeyTYVGNWASCCNUNW-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.30
Rot. Bonds3

About (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone

(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone (PubChem CID 67968961) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
PubChem CID67968961
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2coc3c(O)c(C)ccc23)cc(C)c1C
InChIInChI=1S/C19H18O4/c1-10-5-6-14-15(9-23-19(14)17(10)20)18(21)13-7-11(2)12(3)16(8-13)22-4/h5-9,20H,1-4H3
InChIKeyTYVGNWASCCNUNW-UHFFFAOYSA-N
XLogP4.30
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968982
5-[7-hydroxy-3-(3-methoxy-4,5-dimethylbenzoyl)-6-methyl-1-benzofuran-2-yl]thiophene-2-carbaldehyde
CID 89280917
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 66645277
(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 58284121
disodium;[2-(furan-2-yl)-3-(3-methoxy-4,5-dimethylbenzoyl)-6-methyl-1-benzofuran-7-yl] phosphate
CID 159948337
(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone
CID 91186499
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
[7-fluoro-6-methyl-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
CID 71106241
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617669

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
The IUPAC name of (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone (CID 67968961) is (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone.
What is the SMILES notation for (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
The canonical SMILES for (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone is COc1cc(C(=O)c2coc3c(O)c(C)ccc23)cc(C)c1C.
What is the InChIKey of (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
The InChIKey is TYVGNWASCCNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-10-5-6-14-15(9-23-19(14)17(10)20)18(21)13-7-11(2)12(3)16(8-13)22-4/h5-9,20H,1-4H3.
What are the key properties of (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone has a molecular weight of 310.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 67968961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).