(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol

C15H22O — CID 10856964

IUPAC(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol
SMILESC[C@H](O)C[C@]1(c2ccccc2)CCC[C@@H]1C
InChIInChI=1S/C15H22O/c1-12-7-6-10-15(12,11-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyBLHOOTHVGFZGLK-KCQAQPDRSA-N
MW218.34 g/mol
LogP3.52
Rot. Bonds3

About (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol

(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol (PubChem CID 10856964) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol
PubChem CID10856964
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol
SMILESC[C@H](O)C[C@]1(c2ccccc2)CCC[C@@H]1C
InChIInChI=1S/C15H22O/c1-12-7-6-10-15(12,11-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyBLHOOTHVGFZGLK-KCQAQPDRSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol?
The IUPAC name of (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol (CID 10856964) is (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol?
The canonical SMILES for (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol is C[C@H](O)C[C@]1(c2ccccc2)CCC[C@@H]1C.
What is the InChIKey of (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol?
The InChIKey is BLHOOTHVGFZGLK-KCQAQPDRSA-N. The full InChI is InChI=1S/C15H22O/c1-12-7-6-10-15(12,11-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3/t12-,13-,15+/m0/s1.
What are the key properties of (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol?
(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol is sourced from PubChem (CID 10856964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).