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

C16H24O2 — CID 145233914

IUPAC5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
SMILESCCC(=O)C(C)(c1ccccc1)C(O)(CC)CC
InChIInChI=1S/C16H24O2/c1-5-14(17)15(4,16(18,6-2)7-3)13-11-9-8-10-12-13/h8-12,18H,5-7H2,1-4H3
InChIKeySQRRXHAJCJUSNT-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.47
Rot. Bonds6

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

5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one (PubChem CID 145233914) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one.

Molecular Properties

Compound Name5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
PubChem CID145233914
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
SMILESCCC(=O)C(C)(c1ccccc1)C(O)(CC)CC
InChIInChI=1S/C16H24O2/c1-5-14(17)15(4,16(18,6-2)7-3)13-11-9-8-10-12-13/h8-12,18H,5-7H2,1-4H3
InChIKeySQRRXHAJCJUSNT-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
CID 145233925
2,2-diphenylpentan-3-one
CID 70793023
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
4-ethyl-4-phenylhexan-3-one
CID 63083231
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
4-amino-4-phenylhexan-3-one
CID 67459117
(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
CID 101403805
2-hydroxy-2-phenylhexan-3-one
CID 3696245
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
bis(1-phenylpropane-1,1-diol);phosphoric acid
CID 175284612
3-ethyl-2-phenylhex-3-en-2-ol
CID 15864800
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one?
The IUPAC name of 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one (CID 145233914) is 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one.
What is the SMILES notation for 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one?
The canonical SMILES for 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one is CCC(=O)C(C)(c1ccccc1)C(O)(CC)CC.
What is the InChIKey of 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one?
The InChIKey is SQRRXHAJCJUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-14(17)15(4,16(18,6-2)7-3)13-11-9-8-10-12-13/h8-12,18H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one?
5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one has a molecular weight of 248.37 g/mol, XLogP of 3.47, 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-methyl-4-phenylheptan-3-one is sourced from PubChem (CID 145233914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).