6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one

C15H19FO3 — CID 114672135

IUPAC6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one
SMILESCOC(C)(C)CC1(C)CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C15H19FO3/c1-14(2,18-4)9-15(3)8-12(17)11-7-10(16)5-6-13(11)19-15/h5-7H,8-9H2,1-4H3
InChIKeyBLKCXWPCIIUVEU-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.36
Rot. Bonds3

About 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one

6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one (PubChem CID 114672135) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one
PubChem CID114672135
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one
SMILESCOC(C)(C)CC1(C)CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C15H19FO3/c1-14(2,18-4)9-15(3)8-12(17)11-7-10(16)5-6-13(11)19-15/h5-7H,8-9H2,1-4H3
InChIKeyBLKCXWPCIIUVEU-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672007
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216
2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672241
6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 106825069
2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
CID 114673827
4'-tert-butyl-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672239
2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one
CID 114674564
6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
CID 114673953
6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207087
(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
CID 25417253
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one?
The IUPAC name of 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one (CID 114672135) is 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one.
What is the SMILES notation for 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one?
The canonical SMILES for 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one is COC(C)(C)CC1(C)CC(=O)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one?
The InChIKey is BLKCXWPCIIUVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-14(2,18-4)9-15(3)8-12(17)11-7-10(16)5-6-13(11)19-15/h5-7H,8-9H2,1-4H3.
What are the key properties of 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one?
6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one has a molecular weight of 266.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methoxy-2-methylpropyl)-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 114672135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).