(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one

C12H14O2 — CID 134944434

IUPAC(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one
SMILESCC[C@@H]1CC(=O)Oc2ccc(C)cc21
InChIInChI=1S/C12H14O2/c1-3-9-7-12(13)14-11-5-4-8(2)6-10(9)11/h4-6,9H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyZWZABGHDXLJSEU-SECBINFHSA-N
MW190.24 g/mol
LogP2.80
Rot. Bonds1

About (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one

(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one (PubChem CID 134944434) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one
PubChem CID134944434
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one
SMILESCC[C@@H]1CC(=O)Oc2ccc(C)cc21
InChIInChI=1S/C12H14O2/c1-3-9-7-12(13)14-11-5-4-8(2)6-10(9)11/h4-6,9H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyZWZABGHDXLJSEU-SECBINFHSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
CID 122394788
(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 139189482
4-[2-(4-methylphenyl)-2-oxoethyl]-3,4-dihydrochromen-2-one
CID 102279128
3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one
CID 130032866
4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one
CID 89222087
N-methyl-1-(6-methyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 83907392
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763
6-bromo-4-phenacyl-3,4-dihydrochromen-2-one
CID 102279135
2-ethyl-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 54350762
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 830700
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one (CID 134944434) is (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one is CC[C@@H]1CC(=O)Oc2ccc(C)cc21.
What is the InChIKey of (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one?
The InChIKey is ZWZABGHDXLJSEU-SECBINFHSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-9-7-12(13)14-11-5-4-8(2)6-10(9)11/h4-6,9H,3,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one?
(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 134944434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).