4-(5-phenoxy-1-phenylpentyl)pyridine

C22H23NO — CID 117067769

IUPAC4-(5-phenoxy-1-phenylpentyl)pyridine
SMILESc1ccc(OCCCCC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C22H23NO/c1-3-9-19(10-4-1)22(20-14-16-23-17-15-20)13-7-8-18-24-21-11-5-2-6-12-21/h1-6,9-12,14-17,22H,7-8,13,18H2
InChIKeyFRNULQSLWZRRMA-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.46
Rot. Bonds8

About 4-(5-phenoxy-1-phenylpentyl)pyridine

4-(5-phenoxy-1-phenylpentyl)pyridine (PubChem CID 117067769) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(5-phenoxy-1-phenylpentyl)pyridine.

Molecular Properties

Compound Name4-(5-phenoxy-1-phenylpentyl)pyridine
PubChem CID117067769
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name4-(5-phenoxy-1-phenylpentyl)pyridine
SMILESc1ccc(OCCCCC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C22H23NO/c1-3-9-19(10-4-1)22(20-14-16-23-17-15-20)13-7-8-18-24-21-11-5-2-6-12-21/h1-6,9-12,14-17,22H,7-8,13,18H2
InChIKeyFRNULQSLWZRRMA-UHFFFAOYSA-N
XLogP5.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-phenoxy-1-pyridin-4-ylbutan-1-amine
CID 114991659
5-phenyl-5-pyridin-4-ylpentan-1-amine
CID 117068143
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
4-(5-phenoxypentyl)pyridine
CID 117060417
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
7,7-dichloroheptoxybenzene
CID 90974620
3-(3-phenoxypropoxy)pyridine
CID 86195847
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
5,6-dibromohexoxybenzene
CID 91189511
12,12-diphenyldodecyl phenyl hydrogen phosphite
CID 70542375

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenoxy-1-phenylpentyl)pyridine?
The IUPAC name of 4-(5-phenoxy-1-phenylpentyl)pyridine (CID 117067769) is 4-(5-phenoxy-1-phenylpentyl)pyridine.
What is the SMILES notation for 4-(5-phenoxy-1-phenylpentyl)pyridine?
The canonical SMILES for 4-(5-phenoxy-1-phenylpentyl)pyridine is c1ccc(OCCCCC(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 4-(5-phenoxy-1-phenylpentyl)pyridine?
The InChIKey is FRNULQSLWZRRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-3-9-19(10-4-1)22(20-14-16-23-17-15-20)13-7-8-18-24-21-11-5-2-6-12-21/h1-6,9-12,14-17,22H,7-8,13,18H2.
What are the key properties of 4-(5-phenoxy-1-phenylpentyl)pyridine?
4-(5-phenoxy-1-phenylpentyl)pyridine has a molecular weight of 317.43 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenoxy-1-phenylpentyl)pyridine is sourced from PubChem (CID 117067769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).