4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine

C26H37NO — CID 19859693

IUPAC4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine
SMILESCCCCCC1CCC(C(C)c2cnccc2-c2ccccc2OCC)CC1
InChIInChI=1S/C26H37NO/c1-4-6-7-10-21-13-15-22(16-14-21)20(3)25-19-27-18-17-23(25)24-11-8-9-12-26(24)28-5-2/h8-9,11-12,17-22H,4-7,10,13-16H2,1-3H3
InChIKeyBMTRKZCSZPHFAX-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.64
Rot. Bonds9

About 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine

4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine (PubChem CID 19859693) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine
PubChem CID19859693
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine
SMILESCCCCCC1CCC(C(C)c2cnccc2-c2ccccc2OCC)CC1
InChIInChI=1S/C26H37NO/c1-4-6-7-10-21-13-15-22(16-14-21)20(3)25-19-27-18-17-23(25)24-11-8-9-12-26(24)28-5-2/h8-9,11-12,17-22H,4-7,10,13-16H2,1-3H3
InChIKeyBMTRKZCSZPHFAX-UHFFFAOYSA-N
XLogP7.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.64
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

3-[1-(4-butylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859522
4-(2-pentoxyphenyl)-3-[1-(4-propylcyclohexyl)ethyl]pyridine
CID 19859911
3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859532
4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine
CID 19859771
3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine
CID 19859536
5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine
CID 18660341
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine
CID 19839566
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
4-(2-ethoxyphenyl)pyridine
CID 23466193
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine
CID 19807948

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine?
The IUPAC name of 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine (CID 19859693) is 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine?
The canonical SMILES for 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine is CCCCCC1CCC(C(C)c2cnccc2-c2ccccc2OCC)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine?
The InChIKey is BMTRKZCSZPHFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-4-6-7-10-21-13-15-22(16-14-21)20(3)25-19-27-18-17-23(25)24-11-8-9-12-26(24)28-5-2/h8-9,11-12,17-22H,4-7,10,13-16H2,1-3H3.
What are the key properties of 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine?
4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine has a molecular weight of 379.59 g/mol, XLogP of 7.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine is sourced from PubChem (CID 19859693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).