5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one

C18H18O5 — CID 15380425

IUPAC5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1OC)OC(c1ccccc1)CC2=O
InChIInChI=1S/C18H18O5/c1-20-14-10-15(21-2)17(22-3)18-16(14)12(19)9-13(23-18)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeyCQNKQOFKXLLWRE-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.42
Rot. Bonds4

About 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one

5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 15380425) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID15380425
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1OC)OC(c1ccccc1)CC2=O
InChIInChI=1S/C18H18O5/c1-20-14-10-15(21-2)17(22-3)18-16(14)12(19)9-13(23-18)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeyCQNKQOFKXLLWRE-UHFFFAOYSA-N
XLogP3.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one (CID 15380425) is 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one is COc1cc(OC)c2c(c1OC)OC(c1ccccc1)CC2=O.
What is the InChIKey of 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is CQNKQOFKXLLWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-14-10-15(21-2)17(22-3)18-16(14)12(19)9-13(23-18)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3.
What are the key properties of 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 15380425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).