3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine

C22H21NO2 — CID 59371597

IUPAC3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
SMILESc1ccc(COc2cncc([C@H]3C[C@H]3COc3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c1-3-7-17(8-4-1)15-24-21-11-18(13-23-14-21)22-12-19(22)16-25-20-9-5-2-6-10-20/h1-11,13-14,19,22H,12,15-16H2/t19-,22+/m0/s1
InChIKeyXXRNSTNVYSGNCD-SIKLNZKXSA-N
MW331.42 g/mol
LogP4.84
Rot. Bonds7

About 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine

3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine (PubChem CID 59371597) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine.

Molecular Properties

Compound Name3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
PubChem CID59371597
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
SMILESc1ccc(COc2cncc([C@H]3C[C@H]3COc3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c1-3-7-17(8-4-1)15-24-21-11-18(13-23-14-21)22-12-19(22)16-25-20-9-5-2-6-10-20/h1-11,13-14,19,22H,12,15-16H2/t19-,22+/m0/s1
InChIKeyXXRNSTNVYSGNCD-SIKLNZKXSA-N
XLogP4.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
The IUPAC name of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine (CID 59371597) is 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine.
What is the SMILES notation for 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
The canonical SMILES for 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine is c1ccc(COc2cncc([C@H]3C[C@H]3COc3ccccc3)c2)cc1.
What is the InChIKey of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
The InChIKey is XXRNSTNVYSGNCD-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H21NO2/c1-3-7-17(8-4-1)15-24-21-11-18(13-23-14-21)22-12-19(22)16-25-20-9-5-2-6-10-20/h1-11,13-14,19,22H,12,15-16H2/t19-,22+/m0/s1.
What are the key properties of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine has a molecular weight of 331.42 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine is sourced from PubChem (CID 59371597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).