3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one

C16H14O5 — CID 597405

IUPAC3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)cc2c1C(=O)C(O)C(c1ccccc1)O2
InChIInChI=1S/C16H14O5/c1-20-11-7-10(17)8-12-13(11)14(18)15(19)16(21-12)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3
InChIKeyNIMIDMFTGGTHOH-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.08
Rot. Bonds2

About 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one

3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 597405) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID597405
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)cc2c1C(=O)C(O)C(c1ccccc1)O2
InChIInChI=1S/C16H14O5/c1-20-11-7-10(17)8-12-13(11)14(18)15(19)16(21-12)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3
InChIKeyNIMIDMFTGGTHOH-UHFFFAOYSA-N
XLogP2.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one (CID 597405) is 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one is COc1cc(O)cc2c1C(=O)C(O)C(c1ccccc1)O2.
What is the InChIKey of 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is NIMIDMFTGGTHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-11-7-10(17)8-12-13(11)14(18)15(19)16(21-12)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3.
What are the key properties of 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 286.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 597405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).