2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol

C17H19NO2 — CID 56951233

IUPAC2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol
SMILESOCC[C@H]1C[C@@H]1c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c19-7-6-14-9-17(14)15-8-16(11-18-10-15)20-12-13-4-2-1-3-5-13/h1-5,8,10-11,14,17,19H,6-7,9,12H2/t14-,17-/m0/s1
InChIKeyBVAXBSOEIDWARU-YOEHRIQHSA-N
MW269.34 g/mol
LogP3.15
Rot. Bonds6

About 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol

2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol (PubChem CID 56951233) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol
PubChem CID56951233
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol
SMILESOCC[C@H]1C[C@@H]1c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c19-7-6-14-9-17(14)15-8-16(11-18-10-15)20-12-13-4-2-1-3-5-13/h1-5,8,10-11,14,17,19H,6-7,9,12H2/t14-,17-/m0/s1
InChIKeyBVAXBSOEIDWARU-YOEHRIQHSA-N
XLogP3.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol (CID 56951233) is 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol is OCC[C@H]1C[C@@H]1c1cncc(OCc2ccccc2)c1.
What is the InChIKey of 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol?
The InChIKey is BVAXBSOEIDWARU-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H19NO2/c19-7-6-14-9-17(14)15-8-16(11-18-10-15)20-12-13-4-2-1-3-5-13/h1-5,8,10-11,14,17,19H,6-7,9,12H2/t14-,17-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol?
2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol has a molecular weight of 269.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol is sourced from PubChem (CID 56951233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).