(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

C11H12O3 — CID 5316661

IUPAC(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
SMILESCOc1cccc2c1C(=O)C[C@@H](C)O2
InChIInChI=1S/C11H12O3/c1-7-6-8(12)11-9(13-2)4-3-5-10(11)14-7/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyXTAMLDAUJXMPMY-SSDOTTSWSA-N
MW192.21 g/mol
LogP2.05
Rot. Bonds1

About (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 5316661) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
PubChem CID5316661
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
SMILESCOc1cccc2c1C(=O)C[C@@H](C)O2
InChIInChI=1S/C11H12O3/c1-7-6-8(12)11-9(13-2)4-3-5-10(11)14-7/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyXTAMLDAUJXMPMY-SSDOTTSWSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 155907329
ethyl 4-[(2S)-5-methoxy-4-oxo-2,3-dihydrochromen-2-yl]butanoate
CID 162778589
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 11608195
2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one
CID 141074039
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
CID 38347272
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
CID 162376835
(3S)-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
CID 102140355
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
CID 596478

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one (CID 5316661) is (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one is COc1cccc2c1C(=O)C[C@@H](C)O2.
What is the InChIKey of (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is XTAMLDAUJXMPMY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-6-8(12)11-9(13-2)4-3-5-10(11)14-7/h3-5,7H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one?
(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 192.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 5316661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).