2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol

C12H16O — CID 130128748

IUPAC2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
SMILESCC(CO)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C12H16O/c1-9(8-13)11-7-12(11)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9?,11-,12-/m1/s1
InChIKeyWJWLBSHXNRIOIC-JZXPMDSESA-N
MW176.26 g/mol
LogP2.42
Rot. Bonds3

About 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol

2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol (PubChem CID 130128748) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol.

Molecular Properties

Compound Name2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
PubChem CID130128748
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
SMILESCC(CO)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C12H16O/c1-9(8-13)11-7-12(11)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9?,11-,12-/m1/s1
InChIKeyWJWLBSHXNRIOIC-JZXPMDSESA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
[2-(4-chloropentan-2-yl)cyclopropyl]benzene
CID 116518369
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol
CID 10584418
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
3-(3-methylphenyl)-2-(2-phenylcyclopropyl)propan-1-ol
CID 116518448

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol?
The IUPAC name of 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol (CID 130128748) is 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol.
What is the SMILES notation for 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol?
The canonical SMILES for 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol is CC(CO)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol?
The InChIKey is WJWLBSHXNRIOIC-JZXPMDSESA-N. The full InChI is InChI=1S/C12H16O/c1-9(8-13)11-7-12(11)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9?,11-,12-/m1/s1.
What are the key properties of 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol?
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol is sourced from PubChem (CID 130128748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).