5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one

C16H12O5 — CID 5320315

IUPAC5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
SMILESCOc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
InChIKeyLKOJGSWUMISDOF-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

About 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one

5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one (PubChem CID 5320315) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
PubChem CID5320315
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
SMILESCOc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
InChIKeyLKOJGSWUMISDOF-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one (CID 5320315) is 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one is COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one?
The InChIKey is LKOJGSWUMISDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3.
What are the key properties of 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one?
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one has a molecular weight of 284.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one is sourced from PubChem (CID 5320315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).