5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine

C20H26FNO — CID 143505570

IUPAC5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine
SMILESCCC(CC)c1ccc(-c2cc(C(C)C)c(F)cc2OC)cn1
InChIInChI=1S/C20H26FNO/c1-6-14(7-2)19-9-8-15(12-22-19)17-10-16(13(3)4)18(21)11-20(17)23-5/h8-14H,6-7H2,1-5H3
InChIKeyDCWXSQRBCXVRRN-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.92
Rot. Bonds6

About 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine

5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine (PubChem CID 143505570) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine.

Molecular Properties

Compound Name5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine
PubChem CID143505570
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine
SMILESCCC(CC)c1ccc(-c2cc(C(C)C)c(F)cc2OC)cn1
InChIInChI=1S/C20H26FNO/c1-6-14(7-2)19-9-8-15(12-22-19)17-10-16(13(3)4)18(21)11-20(17)23-5/h8-14H,6-7H2,1-5H3
InChIKeyDCWXSQRBCXVRRN-UHFFFAOYSA-N
XLogP5.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine?
The IUPAC name of 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine (CID 143505570) is 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine.
What is the SMILES notation for 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine?
The canonical SMILES for 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine is CCC(CC)c1ccc(-c2cc(C(C)C)c(F)cc2OC)cn1.
What is the InChIKey of 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine?
The InChIKey is DCWXSQRBCXVRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-6-14(7-2)19-9-8-15(12-22-19)17-10-16(13(3)4)18(21)11-20(17)23-5/h8-14H,6-7H2,1-5H3.
What are the key properties of 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine?
5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine has a molecular weight of 315.43 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine is sourced from PubChem (CID 143505570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).