4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one

C19H20O7 — CID 102564866

IUPAC4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1O
InChIInChI=1S/C19H20O7/c1-22-13-6-5-10(7-12(13)20)11-8-16(21)26-14-9-15(23-2)18(24-3)19(25-4)17(11)14/h5-7,9,11,20H,8H2,1-4H3
InChIKeyMYAPCOFAPVSUBD-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.87
Rot. Bonds5

About 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one

4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one (PubChem CID 102564866) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
PubChem CID102564866
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1O
InChIInChI=1S/C19H20O7/c1-22-13-6-5-10(7-12(13)20)11-8-16(21)26-14-9-15(23-2)18(24-3)19(25-4)17(11)14/h5-7,9,11,20H,8H2,1-4H3
InChIKeyMYAPCOFAPVSUBD-UHFFFAOYSA-N
XLogP2.87
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one?
The IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one (CID 102564866) is 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one.
What is the SMILES notation for 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one?
The canonical SMILES for 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one is COc1ccc(C2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one?
The InChIKey is MYAPCOFAPVSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O7/c1-22-13-6-5-10(7-12(13)20)11-8-16(21)26-14-9-15(23-2)18(24-3)19(25-4)17(11)14/h5-7,9,11,20H,8H2,1-4H3.
What are the key properties of 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one?
4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one has a molecular weight of 360.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one is sourced from PubChem (CID 102564866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).