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

C12H16O2 — CID 101403805

IUPAC(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
SMILESCCC(=O)[C@@](C)(CO)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-11(14)12(2,9-13)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3/t12-/m0/s1
InChIKeyVOBQBGQYPAOGKT-LBPRGKRZSA-N
MW192.26 g/mol
LogP1.92
Rot. Bonds4

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

(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one (PubChem CID 101403805) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one.

Molecular Properties

Compound Name(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
PubChem CID101403805
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
SMILESCCC(=O)[C@@](C)(CO)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-11(14)12(2,9-13)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3/t12-/m0/s1
InChIKeyVOBQBGQYPAOGKT-LBPRGKRZSA-N
XLogP1.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenylpentan-3-one
CID 70793023
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
4-ethyl-4-phenylhexan-3-one
CID 63083231
2-methyl-2-phenylbutanethioic S-acid
CID 87854025
5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
CID 145233914
5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
CID 145233925
(3S)-3-methyl-3-phenylhexan-2-one
CID 54421490
4-amino-4-phenylhexan-3-one
CID 67459117
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
methyl 2-methyl-2-phenylbutanoate
CID 562613
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846

Frequently Asked Questions

What is the IUPAC name of (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one?
The IUPAC name of (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one (CID 101403805) is (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one.
What is the SMILES notation for (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one?
The canonical SMILES for (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one is CCC(=O)[C@@](C)(CO)c1ccccc1.
What is the InChIKey of (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one?
The InChIKey is VOBQBGQYPAOGKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-11(14)12(2,9-13)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one?
(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one has a molecular weight of 192.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one is sourced from PubChem (CID 101403805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).