4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one

C16H14O5 — CID 69045097

IUPAC4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one
SMILESCOc1cc(O)c2c(c1)OC(c1ccccc1)C(=O)C2O
InChIInChI=1S/C16H14O5/c1-20-10-7-11(17)13-12(8-10)21-16(15(19)14(13)18)9-5-3-2-4-6-9/h2-8,14,16-18H,1H3
InChIKeyQCSCOZFXFXTJMQ-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.14
Rot. Bonds2

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

4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one (PubChem CID 69045097) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one.

Molecular Properties

Compound Name4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one
PubChem CID69045097
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one
SMILESCOc1cc(O)c2c(c1)OC(c1ccccc1)C(=O)C2O
InChIInChI=1S/C16H14O5/c1-20-10-7-11(17)13-12(8-10)21-16(15(19)14(13)18)9-5-3-2-4-6-9/h2-8,14,16-18H,1H3
InChIKeyQCSCOZFXFXTJMQ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one?
The IUPAC name of 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one (CID 69045097) is 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one.
What is the SMILES notation for 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one?
The canonical SMILES for 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one is COc1cc(O)c2c(c1)OC(c1ccccc1)C(=O)C2O.
What is the InChIKey of 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one?
The InChIKey is QCSCOZFXFXTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-10-7-11(17)13-12(8-10)21-16(15(19)14(13)18)9-5-3-2-4-6-9/h2-8,14,16-18H,1H3.
What are the key properties of 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one?
4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one has a molecular weight of 286.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one is sourced from PubChem (CID 69045097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).