2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol

C20H18FNO — CID 46854606

IUPAC2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol
SMILESCCC(c1ccncc1)c1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C20H18FNO/c1-2-18(16-9-11-22-12-10-16)15-5-3-14(4-6-15)17-7-8-20(23)19(21)13-17/h3-13,18,23H,2H2,1H3
InChIKeyMSZSUMNJIMRHDP-UHFFFAOYSA-N
MW307.37 g/mol
LogP5.14
Rot. Bonds4

About 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol

2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol (PubChem CID 46854606) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol
PubChem CID46854606
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC Name2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol
SMILESCCC(c1ccncc1)c1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C20H18FNO/c1-2-18(16-9-11-22-12-10-16)15-5-3-14(4-6-15)17-7-8-20(23)19(21)13-17/h3-13,18,23H,2H2,1H3
InChIKeyMSZSUMNJIMRHDP-UHFFFAOYSA-N
XLogP5.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.37
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
The IUPAC name of 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol (CID 46854606) is 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
The canonical SMILES for 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol is CCC(c1ccncc1)c1ccc(-c2ccc(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
The InChIKey is MSZSUMNJIMRHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO/c1-2-18(16-9-11-22-12-10-16)15-5-3-14(4-6-15)17-7-8-20(23)19(21)13-17/h3-13,18,23H,2H2,1H3.
What are the key properties of 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol has a molecular weight of 307.37 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(1-pyridin-4-ylpropyl)phenyl]phenol is sourced from PubChem (CID 46854606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).