anisole;3,5,7-trihydroxy-2-methylchromen-4-one

C17H16O6 — CID 162742274

IUPACanisole;3,5,7-trihydroxy-2-methylchromen-4-one
SMILESCOc1ccccc1.Cc1oc2cc(O)cc(O)c2c(=O)c1O
InChIInChI=1S/C10H8O5.C7H8O/c1-4-9(13)10(14)8-6(12)2-5(11)3-7(8)15-4;1-8-7-5-3-2-4-6-7/h2-3,11-13H,1H3;2-6H,1H3
InChIKeyPGJQTRPWGYQRGW-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.91
Rot. Bonds1

About anisole;3,5,7-trihydroxy-2-methylchromen-4-one

anisole;3,5,7-trihydroxy-2-methylchromen-4-one (PubChem CID 162742274) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is anisole;3,5,7-trihydroxy-2-methylchromen-4-one.

Molecular Properties

Compound Nameanisole;3,5,7-trihydroxy-2-methylchromen-4-one
PubChem CID162742274
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Nameanisole;3,5,7-trihydroxy-2-methylchromen-4-one
SMILESCOc1ccccc1.Cc1oc2cc(O)cc(O)c2c(=O)c1O
InChIInChI=1S/C10H8O5.C7H8O/c1-4-9(13)10(14)8-6(12)2-5(11)3-7(8)15-4;1-8-7-5-3-2-4-6-7/h2-3,11-13H,1H3;2-6H,1H3
InChIKeyPGJQTRPWGYQRGW-UHFFFAOYSA-N
XLogP2.91
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
CID 5380187
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;tris(2,3,5,6-tetramethylpyrazine)
CID 139048285
1,3-dihydroxyxanthen-9-one
CID 5488193
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
2-chloro-6,8-dihydroxy-3-methoxy-1-methylxanthen-9-one
CID 14992078
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CID 5487631
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5,7-dihydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylchromen-2-one
CID 174612862
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058

Frequently Asked Questions

What is the IUPAC name of anisole;3,5,7-trihydroxy-2-methylchromen-4-one?
The IUPAC name of anisole;3,5,7-trihydroxy-2-methylchromen-4-one (CID 162742274) is anisole;3,5,7-trihydroxy-2-methylchromen-4-one.
What is the SMILES notation for anisole;3,5,7-trihydroxy-2-methylchromen-4-one?
The canonical SMILES for anisole;3,5,7-trihydroxy-2-methylchromen-4-one is COc1ccccc1.Cc1oc2cc(O)cc(O)c2c(=O)c1O.
What is the InChIKey of anisole;3,5,7-trihydroxy-2-methylchromen-4-one?
The InChIKey is PGJQTRPWGYQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5.C7H8O/c1-4-9(13)10(14)8-6(12)2-5(11)3-7(8)15-4;1-8-7-5-3-2-4-6-7/h2-3,11-13H,1H3;2-6H,1H3.
What are the key properties of anisole;3,5,7-trihydroxy-2-methylchromen-4-one?
anisole;3,5,7-trihydroxy-2-methylchromen-4-one has a molecular weight of 316.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;3,5,7-trihydroxy-2-methylchromen-4-one is sourced from PubChem (CID 162742274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).