(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol

C11H14O2 — CID 11769104

IUPAC(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H14O2/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11-/m1/s1
InChIKeyDMNGAJXVRBFADQ-OUAUKWLOSA-N
MW178.23 g/mol
LogP1.14
Rot. Bonds3

About (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol

(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol (PubChem CID 11769104) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
PubChem CID11769104
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H14O2/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11-/m1/s1
InChIKeyDMNGAJXVRBFADQ-OUAUKWLOSA-N
XLogP1.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol
CID 115798373
2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
CID 115826460
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
(2,2-dimethylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 107005493
2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
CID 116517234
2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
CID 116517231
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
CID 103027785

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol (CID 11769104) is (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol is OC[C@@H](O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol?
The InChIKey is DMNGAJXVRBFADQ-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H14O2/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11-/m1/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol?
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol has a molecular weight of 178.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol is sourced from PubChem (CID 11769104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).