(2R)-2-hydroxy-1-phenylpentan-3-one

C11H14O2 — CID 67725906

IUPAC(2R)-2-hydroxy-1-phenylpentan-3-one
SMILESCCC(=O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C11H14O2/c1-2-10(12)11(13)8-9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3/t11-/m1/s1
InChIKeyBLINVGVCILRBBV-LLVKDONJSA-N
MW178.23 g/mol
LogP1.57
Rot. Bonds4

About (2R)-2-hydroxy-1-phenylpentan-3-one

(2R)-2-hydroxy-1-phenylpentan-3-one (PubChem CID 67725906) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-phenylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-phenylpentan-3-one
PubChem CID67725906
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R)-2-hydroxy-1-phenylpentan-3-one
SMILESCCC(=O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C11H14O2/c1-2-10(12)11(13)8-9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3/t11-/m1/s1
InChIKeyBLINVGVCILRBBV-LLVKDONJSA-N
XLogP1.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-phenylpentan-3-one?
The IUPAC name of (2R)-2-hydroxy-1-phenylpentan-3-one (CID 67725906) is (2R)-2-hydroxy-1-phenylpentan-3-one.
What is the SMILES notation for (2R)-2-hydroxy-1-phenylpentan-3-one?
The canonical SMILES for (2R)-2-hydroxy-1-phenylpentan-3-one is CCC(=O)[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-1-phenylpentan-3-one?
The InChIKey is BLINVGVCILRBBV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-10(12)11(13)8-9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-phenylpentan-3-one?
(2R)-2-hydroxy-1-phenylpentan-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-phenylpentan-3-one is sourced from PubChem (CID 67725906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).