4-butoxy-3-phenylpyridine

C15H17NO — CID 91002416

IUPAC4-butoxy-3-phenylpyridine
SMILESCCCCOc1ccncc1-c1ccccc1
InChIInChI=1S/C15H17NO/c1-2-3-11-17-15-9-10-16-12-14(15)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3
InChIKeyZMQLFKHCJBDCDL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.93
Rot. Bonds5

About 4-butoxy-3-phenylpyridine

4-butoxy-3-phenylpyridine (PubChem CID 91002416) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-butoxy-3-phenylpyridine.

Molecular Properties

Compound Name4-butoxy-3-phenylpyridine
PubChem CID91002416
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-butoxy-3-phenylpyridine
SMILESCCCCOc1ccncc1-c1ccccc1
InChIInChI=1S/C15H17NO/c1-2-3-11-17-15-9-10-16-12-14(15)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3
InChIKeyZMQLFKHCJBDCDL-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.93
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

1-octadecoxy-2-phenylbenzene
CID 70983974
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
4-(2-butoxyphenyl)pyridazine
CID 173145819
1-butoxy-2-fluoro-3-phenylbenzene
CID 175805388
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
CID 141329320
4-octoxypyridine-3-carboxylic acid
CID 81226157
3-phenyl-4-propoxythiophene
CID 57117902
2,3,7,10-tetrahexoxy-6,11-diphenyltriphenylene
CID 132990475
1-heptoxy-2,3-diphenylbenzene
CID 91223664
3-[2-(2-methylpropylsulfanyl)ethoxy]-4-phenylpyridine
CID 100657178
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
3-ethoxy-4-propoxypyridine
CID 90961233

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-phenylpyridine?
The IUPAC name of 4-butoxy-3-phenylpyridine (CID 91002416) is 4-butoxy-3-phenylpyridine.
What is the SMILES notation for 4-butoxy-3-phenylpyridine?
The canonical SMILES for 4-butoxy-3-phenylpyridine is CCCCOc1ccncc1-c1ccccc1.
What is the InChIKey of 4-butoxy-3-phenylpyridine?
The InChIKey is ZMQLFKHCJBDCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-11-17-15-9-10-16-12-14(15)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 4-butoxy-3-phenylpyridine?
4-butoxy-3-phenylpyridine has a molecular weight of 227.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-phenylpyridine is sourced from PubChem (CID 91002416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).