5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one

C18H22O6 — CID 139586252

IUPAC5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one
SMILESCOc1cc2oc(C)cc(=O)c2c(O)c1CC(C)C(=O)CC(C)O
InChIInChI=1S/C18H22O6/c1-9(13(20)6-10(2)19)5-12-15(23-4)8-16-17(18(12)22)14(21)7-11(3)24-16/h7-10,19,22H,5-6H2,1-4H3
InChIKeyIIUMSUVLRUBHEB-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.33
Rot. Bonds6

About 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one

5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one (PubChem CID 139586252) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one
PubChem CID139586252
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one
SMILESCOc1cc2oc(C)cc(=O)c2c(O)c1CC(C)C(=O)CC(C)O
InChIInChI=1S/C18H22O6/c1-9(13(20)6-10(2)19)5-12-15(23-4)8-16-17(18(12)22)14(21)7-11(3)24-16/h7-10,19,22H,5-6H2,1-4H3
InChIKeyIIUMSUVLRUBHEB-UHFFFAOYSA-N
XLogP2.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
4-[2-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)acetyl]oxy-3-methylbut-3-enoic acid
CID 162946886
7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one
CID 14524536
(2R,5S)-5-hydroxy-1-(4-hydroxy-2-methoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 162884147
5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 75361247
5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one
CID 53321196
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
methyl 8-hydroxy-2-[(2S)-2-hydroxypropyl]-7-methoxy-4-oxochromene-5-carboxylate
CID 139591334
5-hydroxy-7-methoxy-2-methyl-6-[(Z)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one
CID 70682745
(5,6-dimethoxy-2-methyl-4-oxobenzo[g]chromen-8-yl) hydrogen sulfate
CID 101293590

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one?
The IUPAC name of 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one (CID 139586252) is 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one.
What is the SMILES notation for 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one?
The canonical SMILES for 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one is COc1cc2oc(C)cc(=O)c2c(O)c1CC(C)C(=O)CC(C)O.
What is the InChIKey of 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one?
The InChIKey is IIUMSUVLRUBHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-9(13(20)6-10(2)19)5-12-15(23-4)8-16-17(18(12)22)14(21)7-11(3)24-16/h7-10,19,22H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one?
5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one has a molecular weight of 334.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one is sourced from PubChem (CID 139586252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).