2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C11H13FO2 — CID 114715755

IUPAC2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCC1CC(O)c2ccc(F)cc2O1
InChIInChI=1S/C11H13FO2/c1-2-8-6-10(13)9-4-3-7(12)5-11(9)14-8/h3-5,8,10,13H,2,6H2,1H3
InChIKeyOGMLJUJGAQYJBL-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.42
Rot. Bonds1

About 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol

2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715755) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715755
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCC1CC(O)c2ccc(F)cc2O1
InChIInChI=1S/C11H13FO2/c1-2-8-6-10(13)9-4-3-7(12)5-11(9)14-8/h3-5,8,10,13H,2,6H2,1H3
InChIKeyOGMLJUJGAQYJBL-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114715755) is 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol is CCC1CC(O)c2ccc(F)cc2O1.
What is the InChIKey of 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is OGMLJUJGAQYJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-8-6-10(13)9-4-3-7(12)5-11(9)14-8/h3-5,8,10,13H,2,6H2,1H3.
What are the key properties of 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 196.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).