2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine

C24H24ClNO2 — CID 175849398

IUPAC2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine
SMILESCC(C)(c1ccc(Oc2ccnc(Cl)c2)cc1)c1ccc(OC2CCC2)cc1
InChIInChI=1S/C24H24ClNO2/c1-24(2,17-6-10-20(11-7-17)27-19-4-3-5-19)18-8-12-21(13-9-18)28-22-14-15-26-23(25)16-22/h6-16,19H,3-5H2,1-2H3
InChIKeyBJOQFCMOANWMPP-UHFFFAOYSA-N
MW393.91 g/mol
LogP6.78
Rot. Bonds6

About 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine

2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine (PubChem CID 175849398) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine
PubChem CID175849398
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine
SMILESCC(C)(c1ccc(Oc2ccnc(Cl)c2)cc1)c1ccc(OC2CCC2)cc1
InChIInChI=1S/C24H24ClNO2/c1-24(2,17-6-10-20(11-7-17)27-19-4-3-5-19)18-8-12-21(13-9-18)28-22-14-15-26-23(25)16-22/h6-16,19H,3-5H2,1-2H3
InChIKeyBJOQFCMOANWMPP-UHFFFAOYSA-N
XLogP6.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-tert-butylphenoxy)-2-chloropyridine
CID 63777784
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
4-(1-tert-butylpiperidin-3-yl)oxy-2-chloropyridine
CID 87418046
tert-butyl N-[3-[4-[2-[4-[(2-bromo-4-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
CID 167437109
[3-[4-[2-[4-[(2-bromo-4-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238883
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
3-[4-[2-[4-(2-isocyanopyrimidin-5-yl)oxyphenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 176625756
4-cyclobutyloxy-2-methylpyridine
CID 70661228
2-(4-cyclopentyloxyphenyl)-2-methylpentan-1-amine
CID 112519348
3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 167437281
2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine
CID 171537887
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine?
The IUPAC name of 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine (CID 175849398) is 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine.
What is the SMILES notation for 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine?
The canonical SMILES for 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine is CC(C)(c1ccc(Oc2ccnc(Cl)c2)cc1)c1ccc(OC2CCC2)cc1.
What is the InChIKey of 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine?
The InChIKey is BJOQFCMOANWMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-24(2,17-6-10-20(11-7-17)27-19-4-3-5-19)18-8-12-21(13-9-18)28-22-14-15-26-23(25)16-22/h6-16,19H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine?
2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine has a molecular weight of 393.91 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine is sourced from PubChem (CID 175849398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).