(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

C15H17FN2O2 — CID 104948434

IUPAC(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCCn1cncc1C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C15H17FN2O2/c1-2-5-18-9-17-8-12(18)15-7-13(19)11-6-10(16)3-4-14(11)20-15/h3-4,6,8-9,13,15,19H,2,5,7H2,1H3/t13-,15?/m1/s1
InChIKeyOQOXSGLAYUSYIP-AFYYWNPRSA-N
MW276.31 g/mol
LogP2.99
Rot. Bonds3

About (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948434) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948434
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCCn1cncc1C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C15H17FN2O2/c1-2-5-18-9-17-8-12(18)15-7-13(19)11-6-10(16)3-4-14(11)20-15/h3-4,6,8-9,13,15,19H,2,5,7H2,1H3/t13-,15?/m1/s1
InChIKeyOQOXSGLAYUSYIP-AFYYWNPRSA-N
XLogP2.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104948434) is (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is CCCn1cncc1C1C[C@@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is OQOXSGLAYUSYIP-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-5-18-9-17-8-12(18)15-7-13(19)11-6-10(16)3-4-14(11)20-15/h3-4,6,8-9,13,15,19H,2,5,7H2,1H3/t13-,15?/m1/s1.
What are the key properties of (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).