(2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

C22H22FNO2 — CID 56668887

IUPAC(2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(OC(C)C)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C22H22FNO2/c1-15(2)26-19-9-7-17(8-10-19)22(25,18-5-4-12-24-14-18)20-11-6-16(3)13-21(20)23/h4-15,25H,1-3H3
InChIKeyNJEGXNWAXCQLTJ-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.60
Rot. Bonds5

About (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

(2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (PubChem CID 56668887) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
PubChem CID56668887
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Name(2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(OC(C)C)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C22H22FNO2/c1-15(2)26-19-9-7-17(8-10-19)22(25,18-5-4-12-24-14-18)20-11-6-16(3)13-21(20)23/h4-15,25H,1-3H3
InChIKeyNJEGXNWAXCQLTJ-UHFFFAOYSA-N
XLogP4.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (CID 56668887) is (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is Cc1ccc(C(O)(c2ccc(OC(C)C)cc2)c2cccnc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is NJEGXNWAXCQLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2/c1-15(2)26-19-9-7-17(8-10-19)22(25,18-5-4-12-24-14-18)20-11-6-16(3)13-21(20)23/h4-15,25H,1-3H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
(2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 351.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).