(7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H18O7 — CID 59838303

IUPAC(7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2=Cc3ccc(O)c(O)c3OC2)cc(OC)c1OC
InChIInChI=1S/C19H18O7/c1-23-14-7-11(8-15(24-2)19(14)25-3)16(21)12-6-10-4-5-13(20)17(22)18(10)26-9-12/h4-8,20,22H,9H2,1-3H3
InChIKeyDPLCXRXERPIQET-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.78
Rot. Bonds5

About (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 59838303) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID59838303
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name(7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2=Cc3ccc(O)c(O)c3OC2)cc(OC)c1OC
InChIInChI=1S/C19H18O7/c1-23-14-7-11(8-15(24-2)19(14)25-3)16(21)12-6-10-4-5-13(20)17(22)18(10)26-9-12/h4-8,20,22H,9H2,1-3H3
InChIKeyDPLCXRXERPIQET-UHFFFAOYSA-N
XLogP2.78
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59838307
methyl-[[3-(3,4,5-trimethoxybenzoyl)-2H-chromen-8-yl]oxy]phosphinate
CID 59838323
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 89122708
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
7,8-dimethoxy-3-nitro-2H-chromene
CID 91620578
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405

Frequently Asked Questions

What is the IUPAC name of (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 59838303) is (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2=Cc3ccc(O)c(O)c3OC2)cc(OC)c1OC.
What is the InChIKey of (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DPLCXRXERPIQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-23-14-7-11(8-15(24-2)19(14)25-3)16(21)12-6-10-4-5-13(20)17(22)18(10)26-9-12/h4-8,20,22H,9H2,1-3H3.
What are the key properties of (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 358.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dihydroxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 59838303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).