5-hydroxy-2-methyl-1-phenylpentan-1-one

C12H16O2 — CID 67106278

IUPAC5-hydroxy-2-methyl-1-phenylpentan-1-one
SMILESCC(CCCO)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-10(6-5-9-13)12(14)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKeyDRFWYCUXPDVCQE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds5

About 5-hydroxy-2-methyl-1-phenylpentan-1-one

5-hydroxy-2-methyl-1-phenylpentan-1-one (PubChem CID 67106278) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-1-phenylpentan-1-one
PubChem CID67106278
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-hydroxy-2-methyl-1-phenylpentan-1-one
SMILESCC(CCCO)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-10(6-5-9-13)12(14)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKeyDRFWYCUXPDVCQE-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-methylsulfonyl-1-phenylpentan-1-one
CID 104844968
5-ethoxy-2-methyl-1-phenylpentan-1-one
CID 104845070
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
4-cyclopropyl-2-methyl-1-phenylbutan-1-one
CID 104845058
2-(3-hydroxypropylsulfinyl)-1-phenylpropan-1-one
CID 123120245
benzoic acid;butane-1,3-diol
CID 66626965
(2R)-N,N-dibenzyl-5-hydroxy-2-methylpentanamide
CID 155444836
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
CID 143215309
potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide
CID 25215129
2,5-dibromo-1,6-diphenylhexane-1,6-dione
CID 2762432

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-1-phenylpentan-1-one?
The IUPAC name of 5-hydroxy-2-methyl-1-phenylpentan-1-one (CID 67106278) is 5-hydroxy-2-methyl-1-phenylpentan-1-one.
What is the SMILES notation for 5-hydroxy-2-methyl-1-phenylpentan-1-one?
The canonical SMILES for 5-hydroxy-2-methyl-1-phenylpentan-1-one is CC(CCCO)C(=O)c1ccccc1.
What is the InChIKey of 5-hydroxy-2-methyl-1-phenylpentan-1-one?
The InChIKey is DRFWYCUXPDVCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(6-5-9-13)12(14)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3.
What are the key properties of 5-hydroxy-2-methyl-1-phenylpentan-1-one?
5-hydroxy-2-methyl-1-phenylpentan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 67106278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).