(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one

C11H12O3 — CID 40595579

IUPAC(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)O[C@@H](C)CC2=O
InChIInChI=1S/C11H12O3/c1-7-5-10(12)9-4-3-8(13-2)6-11(9)14-7/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyFQSHVVMCTIXFBT-ZETCQYMHSA-N
MW192.21 g/mol
LogP2.05
Rot. Bonds1

About (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one

(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 40595579) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
PubChem CID40595579
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)O[C@@H](C)CC2=O
InChIInChI=1S/C11H12O3/c1-7-5-10(12)9-4-3-8(13-2)6-11(9)14-7/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyFQSHVVMCTIXFBT-ZETCQYMHSA-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

2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 142736946
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
6-methoxy-1-benzofuran-3-one
CID 585368
2-butan-2-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 23465807
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one
CID 114672307
[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate
CID 6160056
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
CID 102846041

Frequently Asked Questions

What is the IUPAC name of (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one (CID 40595579) is (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one is COc1ccc2c(c1)O[C@@H](C)CC2=O.
What is the InChIKey of (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is FQSHVVMCTIXFBT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-5-10(12)9-4-3-8(13-2)6-11(9)14-7/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
(2S)-7-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 (2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 40595579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).