4-(4-fluorophenoxy)benzoic acid;pyridine

C18H14FNO3 — CID 139933963

IUPAC4-(4-fluorophenoxy)benzoic acid;pyridine
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2)cc1.c1ccncc1
InChIInChI=1S/C13H9FO3.C5H5N/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16;1-2-4-6-5-3-1/h1-8H,(H,15,16);1-5H
InChIKeyCWVFRICPBIRCOK-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.40
Rot. Bonds3

About 4-(4-fluorophenoxy)benzoic acid;pyridine

4-(4-fluorophenoxy)benzoic acid;pyridine (PubChem CID 139933963) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)benzoic acid;pyridine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)benzoic acid;pyridine
PubChem CID139933963
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name4-(4-fluorophenoxy)benzoic acid;pyridine
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2)cc1.c1ccncc1
InChIInChI=1S/C13H9FO3.C5H5N/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16;1-2-4-6-5-3-1/h1-8H,(H,15,16);1-5H
InChIKeyCWVFRICPBIRCOK-UHFFFAOYSA-N
XLogP4.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-3-yloxybenzoic acid
CID 22261667
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
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4-methoxybenzoic acid;pyridine
CID 174860408
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
4-(4-fluorophenoxy)benzoate
CID 7009390
4-(4-fluorophenoxy)benzamide
CID 22142233
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
4-(4-acetylphenoxy)benzoic acid
CID 60723234
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)benzoic acid;pyridine?
The IUPAC name of 4-(4-fluorophenoxy)benzoic acid;pyridine (CID 139933963) is 4-(4-fluorophenoxy)benzoic acid;pyridine.
What is the SMILES notation for 4-(4-fluorophenoxy)benzoic acid;pyridine?
The canonical SMILES for 4-(4-fluorophenoxy)benzoic acid;pyridine is O=C(O)c1ccc(Oc2ccc(F)cc2)cc1.c1ccncc1.
What is the InChIKey of 4-(4-fluorophenoxy)benzoic acid;pyridine?
The InChIKey is CWVFRICPBIRCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3.C5H5N/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16;1-2-4-6-5-3-1/h1-8H,(H,15,16);1-5H.
What are the key properties of 4-(4-fluorophenoxy)benzoic acid;pyridine?
4-(4-fluorophenoxy)benzoic acid;pyridine has a molecular weight of 311.31 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)benzoic acid;pyridine is sourced from PubChem (CID 139933963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).