1-hydroxy-4-methyl-1-phenylpentan-3-one

C12H16O2 — CID 13168616

IUPAC1-hydroxy-4-methyl-1-phenylpentan-3-one
SMILESCC(C)C(=O)CC(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,12,14H,8H2,1-2H3
InChIKeyLNDIXSHDJWZICB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.34
Rot. Bonds4

About 1-hydroxy-4-methyl-1-phenylpentan-3-one

1-hydroxy-4-methyl-1-phenylpentan-3-one (PubChem CID 13168616) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-1-phenylpentan-3-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-1-phenylpentan-3-one
PubChem CID13168616
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-hydroxy-4-methyl-1-phenylpentan-3-one
SMILESCC(C)C(=O)CC(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,12,14H,8H2,1-2H3
InChIKeyLNDIXSHDJWZICB-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-1-phenylpentan-3-one?
The IUPAC name of 1-hydroxy-4-methyl-1-phenylpentan-3-one (CID 13168616) is 1-hydroxy-4-methyl-1-phenylpentan-3-one.
What is the SMILES notation for 1-hydroxy-4-methyl-1-phenylpentan-3-one?
The canonical SMILES for 1-hydroxy-4-methyl-1-phenylpentan-3-one is CC(C)C(=O)CC(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-4-methyl-1-phenylpentan-3-one?
The InChIKey is LNDIXSHDJWZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,12,14H,8H2,1-2H3.
What are the key properties of 1-hydroxy-4-methyl-1-phenylpentan-3-one?
1-hydroxy-4-methyl-1-phenylpentan-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-1-phenylpentan-3-one is sourced from PubChem (CID 13168616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).