4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine

C23H24ClNO — CID 132608393

IUPAC4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine
SMILESCOC(c1ccncc1)(c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H24ClNO/c1-22(2,3)17-5-7-18(8-6-17)23(26-4,20-13-15-25-16-14-20)19-9-11-21(24)12-10-19/h5-16H,1-4H3
InChIKeyWSEPLBPETPLPBT-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.97
Rot. Bonds4

About 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine

4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine (PubChem CID 132608393) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine
PubChem CID132608393
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine
SMILESCOC(c1ccncc1)(c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H24ClNO/c1-22(2,3)17-5-7-18(8-6-17)23(26-4,20-13-15-25-16-14-20)19-9-11-21(24)12-10-19/h5-16H,1-4H3
InChIKeyWSEPLBPETPLPBT-UHFFFAOYSA-N
XLogP5.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
The IUPAC name of 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine (CID 132608393) is 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine.
What is the SMILES notation for 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
The canonical SMILES for 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine is COC(c1ccncc1)(c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
The InChIKey is WSEPLBPETPLPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-22(2,3)17-5-7-18(8-6-17)23(26-4,20-13-15-25-16-14-20)19-9-11-21(24)12-10-19/h5-16H,1-4H3.
What are the key properties of 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine has a molecular weight of 365.90 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)-(4-chlorophenyl)-methoxymethyl]pyridine is sourced from PubChem (CID 132608393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).