5-ethyl-5-hydroxy-4-phenylheptan-3-one

C15H22O2 — CID 129196616

IUPAC5-ethyl-5-hydroxy-4-phenylheptan-3-one
SMILESCCC(=O)C(c1ccccc1)C(O)(CC)CC
InChIInChI=1S/C15H22O2/c1-4-13(16)14(15(17,5-2)6-3)12-10-8-7-9-11-12/h7-11,14,17H,4-6H2,1-3H3
InChIKeyXTXUXMWQMQEGDY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.30
Rot. Bonds6

About 5-ethyl-5-hydroxy-4-phenylheptan-3-one

5-ethyl-5-hydroxy-4-phenylheptan-3-one (PubChem CID 129196616) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-ethyl-5-hydroxy-4-phenylheptan-3-one.

Molecular Properties

Compound Name5-ethyl-5-hydroxy-4-phenylheptan-3-one
PubChem CID129196616
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-ethyl-5-hydroxy-4-phenylheptan-3-one
SMILESCCC(=O)C(c1ccccc1)C(O)(CC)CC
InChIInChI=1S/C15H22O2/c1-4-13(16)14(15(17,5-2)6-3)12-10-8-7-9-11-12/h7-11,14,17H,4-6H2,1-3H3
InChIKeyXTXUXMWQMQEGDY-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-hydroxy-4-methyl-3-phenylpentan-2-one
CID 141465013
1-fluoro-1-phenylbutan-2-one
CID 90470836
2-(3-chlorophenyl)-3-ethyl-3-hydroxypentanoic acid
CID 68853059
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
1-(ethylamino)-1-phenylbutan-2-one
CID 123921729
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
(2-oxo-1-phenylbutyl) propanoate
CID 102378018
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one
CID 71241359
ethyl 3,3,3-trifluoro-2-phenylpropanoate
CID 10399031

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-hydroxy-4-phenylheptan-3-one?
The IUPAC name of 5-ethyl-5-hydroxy-4-phenylheptan-3-one (CID 129196616) is 5-ethyl-5-hydroxy-4-phenylheptan-3-one.
What is the SMILES notation for 5-ethyl-5-hydroxy-4-phenylheptan-3-one?
The canonical SMILES for 5-ethyl-5-hydroxy-4-phenylheptan-3-one is CCC(=O)C(c1ccccc1)C(O)(CC)CC.
What is the InChIKey of 5-ethyl-5-hydroxy-4-phenylheptan-3-one?
The InChIKey is XTXUXMWQMQEGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-13(16)14(15(17,5-2)6-3)12-10-8-7-9-11-12/h7-11,14,17H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-5-hydroxy-4-phenylheptan-3-one?
5-ethyl-5-hydroxy-4-phenylheptan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-hydroxy-4-phenylheptan-3-one is sourced from PubChem (CID 129196616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).