4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid

C24H23NO3 — CID 66864364

IUPAC4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
SMILESO=C(O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCCC2)cc1
InChIInChI=1S/C24H23NO3/c26-23(27)18-6-8-19(9-7-18)24(14-2-3-15-24)20-10-12-22(13-11-20)28-17-21-5-1-4-16-25-21/h1,4-13,16H,2-3,14-15,17H2,(H,26,27)
InChIKeyVQHIOLCNLYVBOO-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.22
Rot. Bonds6

About 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid

4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid (PubChem CID 66864364) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
PubChem CID66864364
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
SMILESO=C(O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCCC2)cc1
InChIInChI=1S/C24H23NO3/c26-23(27)18-6-8-19(9-7-18)24(14-2-3-15-24)20-10-12-22(13-11-20)28-17-21-5-1-4-16-25-21/h1,4-13,16H,2-3,14-15,17H2,(H,26,27)
InChIKeyVQHIOLCNLYVBOO-UHFFFAOYSA-N
XLogP5.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205
4-[(1-methylcyclobutyl)-[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 141138739
2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine
CID 66863853
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946
3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine
CID 66864843
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861
(2S)-1-[4-(pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125147794
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
4-(1-phenylcyclopropyl)benzoic acid
CID 19600113
4-[3,3-difluoro-1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzaldehyde
CID 88984289

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid?
The IUPAC name of 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid (CID 66864364) is 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid.
What is the SMILES notation for 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid?
The canonical SMILES for 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid is O=C(O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCCC2)cc1.
What is the InChIKey of 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid?
The InChIKey is VQHIOLCNLYVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c26-23(27)18-6-8-19(9-7-18)24(14-2-3-15-24)20-10-12-22(13-11-20)28-17-21-5-1-4-16-25-21/h1,4-13,16H,2-3,14-15,17H2,(H,26,27).
What are the key properties of 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid?
4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid has a molecular weight of 373.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid is sourced from PubChem (CID 66864364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).