(4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone

C18H12FNO3 — CID 132991416

IUPAC(4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2)n1
InChIInChI=1S/C18H12FNO3/c19-14-8-7-12(10-17(14)22)18(23)16-6-2-5-15(20-16)11-3-1-4-13(21)9-11/h1-10,21-22H
InChIKeyAARNJLIVMSEHNU-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.53
Rot. Bonds3

About (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone

(4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone (PubChem CID 132991416) has the molecular formula C18H12FNO3 and a molecular weight of 309.30 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone
PubChem CID132991416
Molecular FormulaC18H12FNO3
Molecular Weight309.30 g/mol
Exact Mass309.08
IUPAC Name(4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2)n1
InChIInChI=1S/C18H12FNO3/c19-14-8-7-12(10-17(14)22)18(23)16-6-2-5-15(20-16)11-3-1-4-13(21)9-11/h1-10,21-22H
InChIKeyAARNJLIVMSEHNU-UHFFFAOYSA-N
XLogP3.53
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone (CID 132991416) is (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone is O=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2)n1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone?
The InChIKey is AARNJLIVMSEHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3/c19-14-8-7-12(10-17(14)22)18(23)16-6-2-5-15(20-16)11-3-1-4-13(21)9-11/h1-10,21-22H.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone?
(4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone has a molecular weight of 309.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 132991416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).