(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one

C10H10O3 — CID 7177147

IUPAC(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1C(=O)c2ccccc2O[C@H]1O
InChIInChI=1S/C10H10O3/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-6,10,12H,1H3/t6-,10+/m0/s1
InChIKeyBDQFZKDKPMDPMY-QUBYGPBYSA-N
MW178.19 g/mol
LogP1.22
Rot. Bonds

About (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one

(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one (PubChem CID 7177147) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
PubChem CID7177147
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1C(=O)c2ccccc2O[C@H]1O
InChIInChI=1S/C10H10O3/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-6,10,12H,1H3/t6-,10+/m0/s1
InChIKeyBDQFZKDKPMDPMY-QUBYGPBYSA-N
XLogP1.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
CID 10777318
2-ethenyl-3-methyl-2,3-dihydrochromen-4-one
CID 11008672
methyl 3-methyl-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 135026819
(2S,3R)-3-bromo-2-methyl-2,3-dihydrochromen-4-one
CID 15266075
2-hydroxy-3-(3-oxo-1-phenylbutyl)-2,3-dihydrochromen-4-one
CID 126963599
(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
CID 853425
methyl 2-methyl-4-oxo-2,3-dihydrochromene-3-carboxylate
CID 14887955
3-benzoyl-2-methyl-2,3-dihydrochromen-4-one
CID 3420665
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 10534997
(2S,3R)-2,3-bis(hydroxymethyl)-2,3-dihydrochromen-4-one;ethane
CID 90988850
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one (CID 7177147) is (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one is C[C@H]1C(=O)c2ccccc2O[C@H]1O.
What is the InChIKey of (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one?
The InChIKey is BDQFZKDKPMDPMY-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-6,10,12H,1H3/t6-,10+/m0/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one?
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one has a molecular weight of 178.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 7177147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).