7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one

C18H26O2 — CID 143805075

IUPAC7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one
SMILESCCCC1(CCC)CC(=O)c2cc(C)c(CC)cc2O1
InChIInChI=1S/C18H26O2/c1-5-8-18(9-6-2)12-16(19)15-10-13(4)14(7-3)11-17(15)20-18/h10-11H,5-9,12H2,1-4H3
InChIKeyOPXKPTDLCOYQDN-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.86
Rot. Bonds5

About 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one

7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one (PubChem CID 143805075) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one
PubChem CID143805075
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one
SMILESCCCC1(CCC)CC(=O)c2cc(C)c(CC)cc2O1
InChIInChI=1S/C18H26O2/c1-5-8-18(9-6-2)12-16(19)15-10-13(4)14(7-3)11-17(15)20-18/h10-11H,5-9,12H2,1-4H3
InChIKeyOPXKPTDLCOYQDN-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dipropyloxolane-2,3-dione
CID 54270055
8-fluoro-2,2-dipropyl-3H-chromen-4-one
CID 67362861
2,2-diethyl-7-fluoro-3H-chromen-4-one
CID 67362507
5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole
CID 123504727
6-bromo-2-butyl-2-(methoxymethyl)-3H-chromen-4-one
CID 143944320
7-hydroxy-2,2-bis(4-methylpent-3-enyl)-3H-chromen-4-one
CID 100959797
2,2-diethyl-6-isocyano-3H-chromen-4-one
CID 159214413
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
CID 114673953
2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
CID 114673860
ethyl 3-(7-bromo-2-ethyl-4-oxo-3H-chromen-2-yl)propanoate
CID 142122616
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one?
The IUPAC name of 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one (CID 143805075) is 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one.
What is the SMILES notation for 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one?
The canonical SMILES for 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one is CCCC1(CCC)CC(=O)c2cc(C)c(CC)cc2O1.
What is the InChIKey of 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one?
The InChIKey is OPXKPTDLCOYQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-8-18(9-6-2)12-16(19)15-10-13(4)14(7-3)11-17(15)20-18/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one?
7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one has a molecular weight of 274.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one is sourced from PubChem (CID 143805075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).