(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol

C13H18O2 — CID 10584418

IUPAC(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol
SMILESC[C@H](CO)[C@H]1C[C@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-9(8-14)11-7-12(11)13(15)10-5-3-2-4-6-10/h2-6,9,11-15H,7-8H2,1H3/t9-,11-,12-,13+/m1/s1
InChIKeyTWSZGYMTMSRMMM-JHEVNIALSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds4

About (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol

(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol (PubChem CID 10584418) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol
PubChem CID10584418
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol
SMILESC[C@H](CO)[C@H]1C[C@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-9(8-14)11-7-12(11)13(15)10-5-3-2-4-6-10/h2-6,9,11-15H,7-8H2,1H3/t9-,11-,12-,13+/m1/s1
InChIKeyTWSZGYMTMSRMMM-JHEVNIALSA-N
XLogP1.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
(1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol
CID 11051928
(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 100973323
(R)-phenyl-[(1S,2R)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 15855453
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
(1S)-1-phenylethanol
CID 157125626
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
azane;(1R)-1-phenylethanol
CID 126646564
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol?
The IUPAC name of (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol (CID 10584418) is (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol?
The canonical SMILES for (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol is C[C@H](CO)[C@H]1C[C@H]1[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol?
The InChIKey is TWSZGYMTMSRMMM-JHEVNIALSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(8-14)11-7-12(11)13(15)10-5-3-2-4-6-10/h2-6,9,11-15H,7-8H2,1H3/t9-,11-,12-,13+/m1/s1.
What are the key properties of (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol?
(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol is sourced from PubChem (CID 10584418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).