2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol

C12H15FO2 — CID 114714151

IUPAC2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
SMILESCCC1(C)CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C12H15FO2/c1-3-12(2)7-10(14)9-6-8(13)4-5-11(9)15-12/h4-6,10,14H,3,7H2,1-2H3
InChIKeyUEZIAOZPCXBJPJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.81
Rot. Bonds1

About 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol

2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 114714151) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID114714151
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
SMILESCCC1(C)CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C12H15FO2/c1-3-12(2)7-10(14)9-6-8(13)4-5-11(9)15-12/h4-6,10,14H,3,7H2,1-2H3
InChIKeyUEZIAOZPCXBJPJ-UHFFFAOYSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 104948041
2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
CID 123599111
(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104948293
2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 114714156
(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol
CID 114276167
(4S)-7-bromo-2-ethyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949705
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol (CID 114714151) is 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol is CCC1(C)CC(O)c2cc(F)ccc2O1.
What is the InChIKey of 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is UEZIAOZPCXBJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-12(2)7-10(14)9-6-8(13)4-5-11(9)15-12/h4-6,10,14H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 210.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114714151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).