4,5-dihydroxy-7-methyl-3-phenylchromen-2-one

C16H12O4 — CID 174942178

IUPAC4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
SMILESCc1cc(O)c2c(O)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C16H12O4/c1-9-7-11(17)14-12(8-9)20-16(19)13(15(14)18)10-5-3-2-4-6-10/h2-8,17-18H,1H3
InChIKeyHHMXYGBLUOXLPN-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.18
Rot. Bonds1

About 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one

4,5-dihydroxy-7-methyl-3-phenylchromen-2-one (PubChem CID 174942178) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
PubChem CID174942178
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
SMILESCc1cc(O)c2c(O)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C16H12O4/c1-9-7-11(17)14-12(8-9)20-16(19)13(15(14)18)10-5-3-2-4-6-10/h2-8,17-18H,1H3
InChIKeyHHMXYGBLUOXLPN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4,5-dihydroxy-7-(3-hydroxypropyl)-3-phenylchromen-2-one
CID 174895017
4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
5-hydroxy-2,3-bis(4-hydroxy-5-methyl-2-oxochromen-3-yl)-7-methylnaphthalene-1,4-dione
CID 135454728
4,8-dihydroxy-3-phenylchromen-2-one
CID 54721333
2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
CID 59679761
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
1,9-dihydroxy-10-methoxy-3-methylbenzo[c][1]benzoxepine-6,11-dione
CID 139587486
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 10966363
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one?
The IUPAC name of 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one (CID 174942178) is 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one.
What is the SMILES notation for 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one?
The canonical SMILES for 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one is Cc1cc(O)c2c(O)c(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one?
The InChIKey is HHMXYGBLUOXLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-9-7-11(17)14-12(8-9)20-16(19)13(15(14)18)10-5-3-2-4-6-10/h2-8,17-18H,1H3.
What are the key properties of 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one?
4,5-dihydroxy-7-methyl-3-phenylchromen-2-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 4,5-dihydroxy-7-methyl-3-phenylchromen-2-one is sourced from PubChem (CID 174942178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).