3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one

C11H12O3 — CID 130032866

IUPAC3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one
SMILESCCC1Cc2cc(O)ccc2OC1=O
InChIInChI=1S/C11H12O3/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-4,6-7,12H,2,5H2,1H3
InChIKeyNGLHGDAYACKSQX-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.88
Rot. Bonds1

About 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one

3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one (PubChem CID 130032866) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one
PubChem CID130032866
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one
SMILESCCC1Cc2cc(O)ccc2OC1=O
InChIInChI=1S/C11H12O3/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-4,6-7,12H,2,5H2,1H3
InChIKeyNGLHGDAYACKSQX-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-6-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one?
The IUPAC name of 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one (CID 130032866) is 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one is CCC1Cc2cc(O)ccc2OC1=O.
What is the InChIKey of 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one?
The InChIKey is NGLHGDAYACKSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one?
3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one is sourced from PubChem (CID 130032866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).