ethane;hexane;propane;3-propanoylchromen-2-one

C23H38O3 — CID 142053416

IUPACethane;hexane;propane;3-propanoylchromen-2-one
SMILESCC.CCC.CCC(=O)c1cc2ccccc2oc1=O.CCCCCC
InChIInChI=1S/C12H10O3.C6H14.C3H8.C2H6/c1-2-10(13)9-7-8-5-3-4-6-11(8)15-12(9)14;1-3-5-6-4-2;1-3-2;1-2/h3-7H,2H2,1H3;3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyFJTRNFFZUBVGGG-UHFFFAOYSA-N
MW362.55 g/mol
LogP7.41
Rot. Bonds5

About ethane;hexane;propane;3-propanoylchromen-2-one

ethane;hexane;propane;3-propanoylchromen-2-one (PubChem CID 142053416) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is ethane;hexane;propane;3-propanoylchromen-2-one.

Molecular Properties

Compound Nameethane;hexane;propane;3-propanoylchromen-2-one
PubChem CID142053416
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Nameethane;hexane;propane;3-propanoylchromen-2-one
SMILESCC.CCC.CCC(=O)c1cc2ccccc2oc1=O.CCCCCC
InChIInChI=1S/C12H10O3.C6H14.C3H8.C2H6/c1-2-10(13)9-7-8-5-3-4-6-11(8)15-12(9)14;1-3-5-6-4-2;1-3-2;1-2/h3-7H,2H2,1H3;3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyFJTRNFFZUBVGGG-UHFFFAOYSA-N
XLogP7.41
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;hexane;propane;3-propanoylchromen-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 ethane;hexane;propane;3-propanoylchromen-2-one?
The IUPAC name of ethane;hexane;propane;3-propanoylchromen-2-one (CID 142053416) is ethane;hexane;propane;3-propanoylchromen-2-one.
What is the SMILES notation for ethane;hexane;propane;3-propanoylchromen-2-one?
The canonical SMILES for ethane;hexane;propane;3-propanoylchromen-2-one is CC.CCC.CCC(=O)c1cc2ccccc2oc1=O.CCCCCC.
What is the InChIKey of ethane;hexane;propane;3-propanoylchromen-2-one?
The InChIKey is FJTRNFFZUBVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3.C6H14.C3H8.C2H6/c1-2-10(13)9-7-8-5-3-4-6-11(8)15-12(9)14;1-3-5-6-4-2;1-3-2;1-2/h3-7H,2H2,1H3;3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;hexane;propane;3-propanoylchromen-2-one?
ethane;hexane;propane;3-propanoylchromen-2-one has a molecular weight of 362.55 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;propane;3-propanoylchromen-2-one is sourced from PubChem (CID 142053416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).