[5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

C26H20FNO4 — CID 137283267

IUPAC[5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCc1cc(-c2ccc(C(=O)c3ccc(F)c(O)c3)nc2-c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C26H20FNO4/c1-14-11-16(4-9-22(14)29)19-6-8-21(26(32)18-3-7-20(27)24(31)13-18)28-25(19)17-5-10-23(30)15(2)12-17/h3-13,29-31H,1-2H3
InChIKeyDBVLTLLEEOTBNC-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.52
Rot. Bonds4

About [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

[5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (PubChem CID 137283267) has the molecular formula C26H20FNO4 and a molecular weight of 429.45 g/mol. Its IUPAC name is [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
PubChem CID137283267
Molecular FormulaC26H20FNO4
Molecular Weight429.45 g/mol
Exact Mass429.14
IUPAC Name[5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCc1cc(-c2ccc(C(=O)c3ccc(F)c(O)c3)nc2-c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C26H20FNO4/c1-14-11-16(4-9-22(14)29)19-6-8-21(26(32)18-3-7-20(27)24(31)13-18)28-25(19)17-5-10-23(30)15(2)12-17/h3-13,29-31H,1-2H3
InChIKeyDBVLTLLEEOTBNC-UHFFFAOYSA-N
XLogP5.52
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (CID 137283267) is [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is Cc1cc(-c2ccc(C(=O)c3ccc(F)c(O)c3)nc2-c2ccc(O)c(C)c2)ccc1O.
What is the InChIKey of [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The InChIKey is DBVLTLLEEOTBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO4/c1-14-11-16(4-9-22(14)29)19-6-8-21(26(32)18-3-7-20(27)24(31)13-18)28-25(19)17-5-10-23(30)15(2)12-17/h3-13,29-31H,1-2H3.
What are the key properties of [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
[5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone has a molecular weight of 429.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-hydroxy-3-methylphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 137283267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).