diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol

C21H19NO — CID 92533340

IUPACdiphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1C[C@@H]1c1ccncc1
InChIInChI=1S/C21H19NO/c23-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-15-19(20)16-11-13-22-14-12-16/h1-14,19-20,23H,15H2/t19-,20+/m1/s1
InChIKeyKPUSUIKQQCFQCX-UXHICEINSA-N
MW301.39 g/mol
LogP4.12
Rot. Bonds4

About diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol

diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol (PubChem CID 92533340) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol.

Molecular Properties

Compound Namediphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol
PubChem CID92533340
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Namediphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1C[C@@H]1c1ccncc1
InChIInChI=1S/C21H19NO/c23-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-15-19(20)16-11-13-22-14-12-16/h1-14,19-20,23H,15H2/t19-,20+/m1/s1
InChIKeyKPUSUIKQQCFQCX-UXHICEINSA-N
XLogP4.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
CID 102315759
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
4-[(1S,2S)-2-methylcyclopropyl]pyridine
CID 40787591
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol
CID 102038889
2-phenyl-2-(2-phenylcyclopropyl)butan-1-ol
CID 116518430
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
1-(2-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
CID 116516707
[(1S,2R)-2-ethoxycyclopropyl]-diphenylmethanol
CID 125473550
(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
CID 26793169
[(1R,2R,3R,4S)-3-[hydroxy(diphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-diphenylmethanol;bis(propan-2-ol);titanium
CID 11146573

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol?
The IUPAC name of diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol (CID 92533340) is diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol.
What is the SMILES notation for diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol?
The canonical SMILES for diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol is OC(c1ccccc1)(c1ccccc1)[C@H]1C[C@@H]1c1ccncc1.
What is the InChIKey of diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol?
The InChIKey is KPUSUIKQQCFQCX-UXHICEINSA-N. The full InChI is InChI=1S/C21H19NO/c23-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-15-19(20)16-11-13-22-14-12-16/h1-14,19-20,23H,15H2/t19-,20+/m1/s1.
What are the key properties of diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol?
diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol has a molecular weight of 301.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol is sourced from PubChem (CID 92533340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).