5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one

C15H22O2 — CID 145233925

IUPAC5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
SMILESCCC(=O)C(C)(c1ccccc1)C(C)(O)CC
InChIInChI=1S/C15H22O2/c1-5-13(16)15(4,14(3,17)6-2)12-10-8-7-9-11-12/h7-11,17H,5-6H2,1-4H3
InChIKeyKCUSTHZFPFWIQY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.08
Rot. Bonds5

About 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one

5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one (PubChem CID 145233925) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one.

Molecular Properties

Compound Name5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
PubChem CID145233925
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
SMILESCCC(=O)C(C)(c1ccccc1)C(C)(O)CC
InChIInChI=1S/C15H22O2/c1-5-13(16)15(4,14(3,17)6-2)12-10-8-7-9-11-12/h7-11,17H,5-6H2,1-4H3
InChIKeyKCUSTHZFPFWIQY-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
CID 145233914
2,2-diphenylpentan-3-one
CID 70793023
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
4-ethyl-4-phenylhexan-3-one
CID 63083231
4-amino-4-phenylhexan-3-one
CID 67459117
(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
CID 101403805
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
2-hydroxy-2-phenylhexan-3-one
CID 3696245
3-ethyl-2-phenylhex-3-en-2-ol
CID 15864800
(E)-3-ethyl-2-phenylhex-3-en-2-ol
CID 100935956
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
4-hydroxy-1,1,1,4-tetraphenylhexan-2-one
CID 13396368

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one?
The IUPAC name of 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one (CID 145233925) is 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one.
What is the SMILES notation for 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one?
The canonical SMILES for 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one is CCC(=O)C(C)(c1ccccc1)C(C)(O)CC.
What is the InChIKey of 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one?
The InChIKey is KCUSTHZFPFWIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-13(16)15(4,14(3,17)6-2)12-10-8-7-9-11-12/h7-11,17H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one?
5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one is sourced from PubChem (CID 145233925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).