2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one

C20H20O7 — CID 11280195

IUPAC2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one
SMILESC=CCOc1c(OC)c(OC)c(OC)c2oc3c(OC)cccc3c(=O)c12
InChIInChI=1S/C20H20O7/c1-6-10-26-16-13-14(21)11-8-7-9-12(22-2)15(11)27-17(13)19(24-4)20(25-5)18(16)23-3/h6-9H,1,10H2,2-5H3
InChIKeyCPHMOKUWKAEDIF-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.55
Rot. Bonds7

About 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one

2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one (PubChem CID 11280195) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one.

Molecular Properties

Compound Name2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one
PubChem CID11280195
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one
SMILESC=CCOc1c(OC)c(OC)c(OC)c2oc3c(OC)cccc3c(=O)c12
InChIInChI=1S/C20H20O7/c1-6-10-26-16-13-14(21)11-8-7-9-12(22-2)15(11)27-17(13)19(24-4)20(25-5)18(16)23-3/h6-9H,1,10H2,2-5H3
InChIKeyCPHMOKUWKAEDIF-UHFFFAOYSA-N
XLogP3.55
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one
CID 71334079
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
8-methoxybenzo[a]xanthen-12-one
CID 135193701
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
6-methoxydibenzofuran-4-thiol
CID 23254072
3-hydroxy-4,5-dimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
CID 5316767
(E)-3-(3-methoxy-2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43471785
methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate
CID 10924646
1-hydroxy-6-(2-methylbut-3-en-2-yloxy)-5-prop-2-enoxyxanthen-9-one
CID 71545036
(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 163055733
1-ethenyl-4-methoxyxanthen-9-one
CID 11391100

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one?
The IUPAC name of 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one (CID 11280195) is 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one.
What is the SMILES notation for 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one?
The canonical SMILES for 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one is C=CCOc1c(OC)c(OC)c(OC)c2oc3c(OC)cccc3c(=O)c12.
What is the InChIKey of 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one?
The InChIKey is CPHMOKUWKAEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-6-10-26-16-13-14(21)11-8-7-9-12(22-2)15(11)27-17(13)19(24-4)20(25-5)18(16)23-3/h6-9H,1,10H2,2-5H3.
What are the key properties of 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one?
2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one has a molecular weight of 372.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one is sourced from PubChem (CID 11280195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).