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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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).