(4R)-4-ethyl-4-methyl-3H-chromen-2-one

C12H14O2 — CID 101434564

IUPAC(4R)-4-ethyl-4-methyl-3H-chromen-2-one
SMILESCC[C@]1(C)CC(=O)Oc2ccccc21
InChIInChI=1S/C12H14O2/c1-3-12(2)8-11(13)14-10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3/t12-/m1/s1
InChIKeyMGSWQNVGCJJVQL-GFCCVEGCSA-N
MW190.24 g/mol
LogP2.66
Rot. Bonds1

About (4R)-4-ethyl-4-methyl-3H-chromen-2-one

(4R)-4-ethyl-4-methyl-3H-chromen-2-one (PubChem CID 101434564) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-4-ethyl-4-methyl-3H-chromen-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-4-methyl-3H-chromen-2-one
PubChem CID101434564
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4R)-4-ethyl-4-methyl-3H-chromen-2-one
SMILESCC[C@]1(C)CC(=O)Oc2ccccc21
InChIInChI=1S/C12H14O2/c1-3-12(2)8-11(13)14-10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3/t12-/m1/s1
InChIKeyMGSWQNVGCJJVQL-GFCCVEGCSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-pentyl-3H-chromen-2-one
CID 13229905
2-[(4R)-4-methyl-2-oxo-3H-chromen-4-yl]ethyl benzoate
CID 146167142
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
(4R)-4-ethyl-4-methyl-5-(3-oxobutyl)-3H-chromen-2-one
CID 101434570
4-ethyl-4-methyl-1,3-dihydroquinolin-2-one
CID 126504944
9,9-diethylxanthene
CID 22447430
3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
CID 43134872
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537
2,2-diethyl-4,4-dimethyl-3H-chromene
CID 146403608
3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561835
3-hydroxy-3-methyl-1-benzofuran-2-one
CID 86145781

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-4-methyl-3H-chromen-2-one?
The IUPAC name of (4R)-4-ethyl-4-methyl-3H-chromen-2-one (CID 101434564) is (4R)-4-ethyl-4-methyl-3H-chromen-2-one.
What is the SMILES notation for (4R)-4-ethyl-4-methyl-3H-chromen-2-one?
The canonical SMILES for (4R)-4-ethyl-4-methyl-3H-chromen-2-one is CC[C@]1(C)CC(=O)Oc2ccccc21.
What is the InChIKey of (4R)-4-ethyl-4-methyl-3H-chromen-2-one?
The InChIKey is MGSWQNVGCJJVQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-12(2)8-11(13)14-10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-ethyl-4-methyl-3H-chromen-2-one?
(4R)-4-ethyl-4-methyl-3H-chromen-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-4-methyl-3H-chromen-2-one is sourced from PubChem (CID 101434564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).