ethane;5-hydroxy-4-propylchromen-2-one

C14H18O3 — CID 142017980

IUPACethane;5-hydroxy-4-propylchromen-2-one
SMILESCC.CCCc1cc(=O)oc2cccc(O)c12
InChIInChI=1S/C12H12O3.C2H6/c1-2-4-8-7-11(14)15-10-6-3-5-9(13)12(8)10;1-2/h3,5-7,13H,2,4H2,1H3;1-2H3
InChIKeyMVJAUCDBCAPFTN-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.48
Rot. Bonds2

About ethane;5-hydroxy-4-propylchromen-2-one

ethane;5-hydroxy-4-propylchromen-2-one (PubChem CID 142017980) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethane;5-hydroxy-4-propylchromen-2-one.

Molecular Properties

Compound Nameethane;5-hydroxy-4-propylchromen-2-one
PubChem CID142017980
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethane;5-hydroxy-4-propylchromen-2-one
SMILESCC.CCCc1cc(=O)oc2cccc(O)c12
InChIInChI=1S/C12H12O3.C2H6/c1-2-4-8-7-11(14)15-10-6-3-5-9(13)12(8)10;1-2/h3,5-7,13H,2,4H2,1H3;1-2H3
InChIKeyMVJAUCDBCAPFTN-UHFFFAOYSA-N
XLogP3.48
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;5-hydroxy-4-propylchromen-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

5-hydroxy-7-(4-methylphenyl)sulfonyl-4-propylchromen-2-one
CID 87573194
6-bromo-7-hydroxy-4-propylchromen-2-one
CID 169006573
5,7-dihydroxy-6-(2-methylbutanoyl)-4-propylchromen-2-one
CID 11034042
7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one
CID 707841
7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one
CID 154723125
7-hydroxy-8-propan-2-yl-4-propylchromen-2-one
CID 89426551
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
6-ethoxy-4-propylchromen-2-one
CID 134087770
8-methoxy-4-propylchromen-2-one
CID 42602895
5,7-dihydroxy-4-(3,3,3-trifluoropropyl)chromen-2-one
CID 24806887
N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
CID 139794944

Frequently Asked Questions

What is the IUPAC name of ethane;5-hydroxy-4-propylchromen-2-one?
The IUPAC name of ethane;5-hydroxy-4-propylchromen-2-one (CID 142017980) is ethane;5-hydroxy-4-propylchromen-2-one.
What is the SMILES notation for ethane;5-hydroxy-4-propylchromen-2-one?
The canonical SMILES for ethane;5-hydroxy-4-propylchromen-2-one is CC.CCCc1cc(=O)oc2cccc(O)c12.
What is the InChIKey of ethane;5-hydroxy-4-propylchromen-2-one?
The InChIKey is MVJAUCDBCAPFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3.C2H6/c1-2-4-8-7-11(14)15-10-6-3-5-9(13)12(8)10;1-2/h3,5-7,13H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;5-hydroxy-4-propylchromen-2-one?
ethane;5-hydroxy-4-propylchromen-2-one has a molecular weight of 234.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxy-4-propylchromen-2-one is sourced from PubChem (CID 142017980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).