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

C16H12O4 — CID 11536318

IUPAC5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
SMILESCc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3
InChIKeyXRJWLVUOUWIPHW-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.18
Rot. Bonds1

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

5,7-dihydroxy-6-methyl-2-phenylchromen-4-one (PubChem CID 11536318) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
PubChem CID11536318
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
SMILESCc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3
InChIKeyXRJWLVUOUWIPHW-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 15838821
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-2-phenylchromen-4-one
CID 167993314
(5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate
CID 58178607
CID 172853606
CID 172853606
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one (CID 11536318) is 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one is Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one?
The InChIKey is XRJWLVUOUWIPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3.
What are the key properties of 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one?
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 11536318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).