(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol

C12H16O3 — CID 102209606

IUPAC(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C12H16O3/c13-7-11(14)12(15)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11+,12-/m0/s1
InChIKeyVFOLDJVVXYFHTE-QCNOEVLYSA-N
MW208.26 g/mol
LogP0.50
Rot. Bonds4

About (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol

(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol (PubChem CID 102209606) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
PubChem CID102209606
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C12H16O3/c13-7-11(14)12(15)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11+,12-/m0/s1
InChIKeyVFOLDJVVXYFHTE-QCNOEVLYSA-N
XLogP0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
(2,2-dimethylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 107005493
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 116517213
3-(3-methylphenyl)-2-(2-phenylcyclopropyl)propan-1-ol
CID 116518448
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol?
The IUPAC name of (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol (CID 102209606) is (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol.
What is the SMILES notation for (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol?
The canonical SMILES for (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol is OC[C@@H](O)[C@@H](O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol?
The InChIKey is VFOLDJVVXYFHTE-QCNOEVLYSA-N. The full InChI is InChI=1S/C12H16O3/c13-7-11(14)12(15)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11+,12-/m0/s1.
What are the key properties of (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol?
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol has a molecular weight of 208.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol is sourced from PubChem (CID 102209606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).