(4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

C15H17FN2O2 — CID 104951594

IUPAC(4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)n1cncc1C1C[C@@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C15H17FN2O2/c1-9(2)18-8-17-7-12(18)15-6-13(19)11-4-3-10(16)5-14(11)20-15/h3-5,7-9,13,15,19H,6H2,1-2H3/t13-,15?/m1/s1
InChIKeyALDULQTZVBZPEN-AFYYWNPRSA-N
MW276.31 g/mol
LogP3.16
Rot. Bonds2

About (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951594) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951594
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)n1cncc1C1C[C@@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C15H17FN2O2/c1-9(2)18-8-17-7-12(18)15-6-13(19)11-4-3-10(16)5-14(11)20-15/h3-5,7-9,13,15,19H,6H2,1-2H3/t13-,15?/m1/s1
InChIKeyALDULQTZVBZPEN-AFYYWNPRSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104951594) is (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is CC(C)n1cncc1C1C[C@@H](O)c2ccc(F)cc2O1.
What is the InChIKey of (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ALDULQTZVBZPEN-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9(2)18-8-17-7-12(18)15-6-13(19)11-4-3-10(16)5-14(11)20-15/h3-5,7-9,13,15,19H,6H2,1-2H3/t13-,15?/m1/s1.
What are the key properties of (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).