1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol

C21H20FNO3 — CID 22612037

IUPAC1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FNO3/c1-25-17-9-4-15(5-10-17)6-13-20(24)19-3-2-14-23-21(19)26-18-11-7-16(22)8-12-18/h2-5,7-12,14,20,24H,6,13H2,1H3
InChIKeyRTMJWPYMUDHSQK-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.69
Rot. Bonds7

About 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol

1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 22612037) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol
PubChem CID22612037
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FNO3/c1-25-17-9-4-15(5-10-17)6-13-20(24)19-3-2-14-23-21(19)26-18-11-7-16(22)8-12-18/h2-5,7-12,14,20,24H,6,13H2,1H3
InChIKeyRTMJWPYMUDHSQK-UHFFFAOYSA-N
XLogP4.69
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hexyl-2-pyridin-2-yloxyphenol
CID 44450183
US9714221, Example 154
CID 130232819
US9714221, Example 153
CID 137194225
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
4''-(6-Methoxypyridin-3-yl)biphenyl-3-ol
CID 46887511
1-[5-(6-Methoxynaphthalen-2-yl)-pyridin-3-yl]ethanol
CID 25034425
(4-Chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56679074
3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 11078398
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
2-(4-Butoxyphenyl)pyridine
CID 11322128
3-(4-Butoxy-phenyl)-pyridine
CID 11817019

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol (CID 22612037) is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cccnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is RTMJWPYMUDHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-25-17-9-4-15(5-10-17)6-13-20(24)19-3-2-14-23-21(19)26-18-11-7-16(22)8-12-18/h2-5,7-12,14,20,24H,6,13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol?
1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 353.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 22612037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).