8-hydroxy-2,3,6-trimethylchromen-4-one

C12H12O3 — CID 121010232

IUPAC8-hydroxy-2,3,6-trimethylchromen-4-one
SMILESCc1cc(O)c2oc(C)c(C)c(=O)c2c1
InChIInChI=1S/C12H12O3/c1-6-4-9-11(14)7(2)8(3)15-12(9)10(13)5-6/h4-5,13H,1-3H3
InChIKeyMULWXQWYVNDLJR-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.42
Rot. Bonds

About 8-hydroxy-2,3,6-trimethylchromen-4-one

8-hydroxy-2,3,6-trimethylchromen-4-one (PubChem CID 121010232) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 8-hydroxy-2,3,6-trimethylchromen-4-one.

Molecular Properties

Compound Name8-hydroxy-2,3,6-trimethylchromen-4-one
PubChem CID121010232
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name8-hydroxy-2,3,6-trimethylchromen-4-one
SMILESCc1cc(O)c2oc(C)c(C)c(=O)c2c1
InChIInChI=1S/C12H12O3/c1-6-4-9-11(14)7(2)8(3)15-12(9)10(13)5-6/h4-5,13H,1-3H3
InChIKeyMULWXQWYVNDLJR-UHFFFAOYSA-N
XLogP2.42
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7,9-tetramethylfuro[3,2-g]chromen-5-one
CID 11096784
6-chloro-7-hydroxy-2,3-dimethylchromen-4-one
CID 15482447
3,6,7,9-tetramethylfuro[3,2-g]chromen-5-one
CID 14089863
6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde
CID 77107216
2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one
CID 71665587
2,3-dimethyl-4-oxochromene-8-carbaldehyde
CID 155387779
(2,3,6-trimethyl-4-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 14089870
3,4,6,8-tetramethylchromen-2-one
CID 71322900
8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 166111304
2,3,5,7-tetrahydroxyxanthen-9-one
CID 162847405
3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one
CID 91664847
(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
CID 102595350

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,3,6-trimethylchromen-4-one?
The IUPAC name of 8-hydroxy-2,3,6-trimethylchromen-4-one (CID 121010232) is 8-hydroxy-2,3,6-trimethylchromen-4-one.
What is the SMILES notation for 8-hydroxy-2,3,6-trimethylchromen-4-one?
The canonical SMILES for 8-hydroxy-2,3,6-trimethylchromen-4-one is Cc1cc(O)c2oc(C)c(C)c(=O)c2c1.
What is the InChIKey of 8-hydroxy-2,3,6-trimethylchromen-4-one?
The InChIKey is MULWXQWYVNDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-6-4-9-11(14)7(2)8(3)15-12(9)10(13)5-6/h4-5,13H,1-3H3.
What are the key properties of 8-hydroxy-2,3,6-trimethylchromen-4-one?
8-hydroxy-2,3,6-trimethylchromen-4-one has a molecular weight of 204.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,3,6-trimethylchromen-4-one is sourced from PubChem (CID 121010232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).