(2R)-1-phenylpropan-2-ol

C9H12O — CID 5324631

IUPAC(2R)-1-phenylpropan-2-ol
SMILESC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
InChIKeyWYTRYIUQUDTGSX-MRVPVSSYSA-N
MW136.19 g/mol
LogP1.61
Rot. Bonds2

About (2R)-1-phenylpropan-2-ol

(2R)-1-phenylpropan-2-ol (PubChem CID 5324631) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (2R)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenylpropan-2-ol
PubChem CID5324631
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(2R)-1-phenylpropan-2-ol
SMILESC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
InChIKeyWYTRYIUQUDTGSX-MRVPVSSYSA-N
XLogP1.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylpropan-2-ol?
The IUPAC name of (2R)-1-phenylpropan-2-ol (CID 5324631) is (2R)-1-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-phenylpropan-2-ol is C[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2R)-1-phenylpropan-2-ol?
The InChIKey is WYTRYIUQUDTGSX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-phenylpropan-2-ol?
(2R)-1-phenylpropan-2-ol has a molecular weight of 136.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylpropan-2-ol is sourced from PubChem (CID 5324631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).