2-ethyl-6-methyl-2-phenylheptanoic acid

C16H24O2 — CID 83158043

IUPAC2-ethyl-6-methyl-2-phenylheptanoic acid
SMILESCCC(CCCC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-4-16(15(17)18,12-8-9-13(2)3)14-10-6-5-7-11-14/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,17,18)
InChIKeyKUEOIEVLSYUTJU-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.25
Rot. Bonds7

About 2-ethyl-6-methyl-2-phenylheptanoic acid

2-ethyl-6-methyl-2-phenylheptanoic acid (PubChem CID 83158043) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-6-methyl-2-phenylheptanoic acid.

Molecular Properties

Compound Name2-ethyl-6-methyl-2-phenylheptanoic acid
PubChem CID83158043
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-ethyl-6-methyl-2-phenylheptanoic acid
SMILESCCC(CCCC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-4-16(15(17)18,12-8-9-13(2)3)14-10-6-5-7-11-14/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,17,18)
InChIKeyKUEOIEVLSYUTJU-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-8-methyl-2-phenylnonanoic acid
CID 154389519
2-ethyl-2-phenyldecanedioic acid
CID 159619008
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
(3-carboxy-3-phenylpentyl)-methylazanium
CID 143227048
2-(aminomethyl)-6-methyl-2-(3-methylphenyl)heptanoic acid
CID 106490782
2-butyl-2-phenylpentanedioic acid
CID 67892428
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945
3-butyl-3-phenylheptan-2-one
CID 11776692
4-ethyl-4-phenylhexan-3-one
CID 63083231
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-2-phenylheptanoic acid?
The IUPAC name of 2-ethyl-6-methyl-2-phenylheptanoic acid (CID 83158043) is 2-ethyl-6-methyl-2-phenylheptanoic acid.
What is the SMILES notation for 2-ethyl-6-methyl-2-phenylheptanoic acid?
The canonical SMILES for 2-ethyl-6-methyl-2-phenylheptanoic acid is CCC(CCCC(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-ethyl-6-methyl-2-phenylheptanoic acid?
The InChIKey is KUEOIEVLSYUTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-16(15(17)18,12-8-9-13(2)3)14-10-6-5-7-11-14/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-6-methyl-2-phenylheptanoic acid?
2-ethyl-6-methyl-2-phenylheptanoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-2-phenylheptanoic acid is sourced from PubChem (CID 83158043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).