(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone

C19H16O6 — CID 91186499

IUPAC(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone
SMILESC=c1c(O)c(O)c2c(C(=O)c3ccc(OC)c(OC)c3)coc2c1=C
InChIInChI=1S/C19H16O6/c1-9-10(2)19-15(18(22)16(9)20)12(8-25-19)17(21)11-5-6-13(23-3)14(7-11)24-4/h5-8,20,22H,1-2H2,3-4H3
InChIKeyGYXXAXFDASGWKH-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.91
Rot. Bonds4

About (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone

(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 91186499) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID91186499
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone
SMILESC=c1c(O)c(O)c2c(C(=O)c3ccc(OC)c(OC)c3)coc2c1=C
InChIInChI=1S/C19H16O6/c1-9-10(2)19-15(18(22)16(9)20)12(8-25-19)17(21)11-5-6-13(23-3)14(7-11)24-4/h5-8,20,22H,1-2H2,3-4H3
InChIKeyGYXXAXFDASGWKH-UHFFFAOYSA-N
XLogP1.91
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
CID 56955599
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968961
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 66645277
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718

Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone (CID 91186499) is (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone is C=c1c(O)c(O)c2c(C(=O)c3ccc(OC)c(OC)c3)coc2c1=C.
What is the InChIKey of (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is GYXXAXFDASGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-9-10(2)19-15(18(22)16(9)20)12(8-25-19)17(21)11-5-6-13(23-3)14(7-11)24-4/h5-8,20,22H,1-2H2,3-4H3.
What are the key properties of (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone?
(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 340.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 91186499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).