2,4-diethyl-2H-chromene

C13H16O — CID 13045515

IUPAC2,4-diethyl-2H-chromene
SMILESCCC1=CC(CC)Oc2ccccc21
InChIInChI=1S/C13H16O/c1-3-10-9-11(4-2)14-13-8-6-5-7-12(10)13/h5-9,11H,3-4H2,1-2H3
InChIKeyQDHDGXNCSBBELS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.65
Rot. Bonds2

About 2,4-diethyl-2H-chromene

2,4-diethyl-2H-chromene (PubChem CID 13045515) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,4-diethyl-2H-chromene.

Molecular Properties

Compound Name2,4-diethyl-2H-chromene
PubChem CID13045515
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2,4-diethyl-2H-chromene
SMILESCCC1=CC(CC)Oc2ccccc21
InChIInChI=1S/C13H16O/c1-3-10-9-11(4-2)14-13-8-6-5-7-12(10)13/h5-9,11H,3-4H2,1-2H3
InChIKeyQDHDGXNCSBBELS-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-diethyl-2H-chromene 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 2,4-diethyl-2H-chromene?
The IUPAC name of 2,4-diethyl-2H-chromene (CID 13045515) is 2,4-diethyl-2H-chromene.
What is the SMILES notation for 2,4-diethyl-2H-chromene?
The canonical SMILES for 2,4-diethyl-2H-chromene is CCC1=CC(CC)Oc2ccccc21.
What is the InChIKey of 2,4-diethyl-2H-chromene?
The InChIKey is QDHDGXNCSBBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-10-9-11(4-2)14-13-8-6-5-7-12(10)13/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 2,4-diethyl-2H-chromene?
2,4-diethyl-2H-chromene has a molecular weight of 188.27 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2H-chromene is sourced from PubChem (CID 13045515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).