4-ethyl-1-methoxy-4-phenylhexan-3-one

C15H22O2 — CID 114992026

IUPAC4-ethyl-1-methoxy-4-phenylhexan-3-one
SMILESCCC(CC)(C(=O)CCOC)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-15(5-2,14(16)11-12-17-3)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyZXOVZBAZYIATFU-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds7

About 4-ethyl-1-methoxy-4-phenylhexan-3-one

4-ethyl-1-methoxy-4-phenylhexan-3-one (PubChem CID 114992026) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-ethyl-1-methoxy-4-phenylhexan-3-one.

Molecular Properties

Compound Name4-ethyl-1-methoxy-4-phenylhexan-3-one
PubChem CID114992026
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-ethyl-1-methoxy-4-phenylhexan-3-one
SMILESCCC(CC)(C(=O)CCOC)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-15(5-2,14(16)11-12-17-3)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyZXOVZBAZYIATFU-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-phenylhexan-3-one
CID 63083231
ethyl 5-ethyl-4-oxo-5-phenylheptanoate
CID 66323607
5-ethyl-2-methyl-5-phenylhept-1-en-4-one
CID 79179964
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
3-methoxy-1-phenylpropan-1-one
CID 10942788
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
2-ethyl-2-phenyldecanedioic acid
CID 159619008
2-benzylidene-4-methoxybutanoic acid
CID 150039493
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-N-(trifluoromethyl)hexanamide
CID 70557988
2-(aminomethyl)-5-(2-methoxyethoxy)-2-phenylpentanoic acid
CID 106489358

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methoxy-4-phenylhexan-3-one?
The IUPAC name of 4-ethyl-1-methoxy-4-phenylhexan-3-one (CID 114992026) is 4-ethyl-1-methoxy-4-phenylhexan-3-one.
What is the SMILES notation for 4-ethyl-1-methoxy-4-phenylhexan-3-one?
The canonical SMILES for 4-ethyl-1-methoxy-4-phenylhexan-3-one is CCC(CC)(C(=O)CCOC)c1ccccc1.
What is the InChIKey of 4-ethyl-1-methoxy-4-phenylhexan-3-one?
The InChIKey is ZXOVZBAZYIATFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-15(5-2,14(16)11-12-17-3)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of 4-ethyl-1-methoxy-4-phenylhexan-3-one?
4-ethyl-1-methoxy-4-phenylhexan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methoxy-4-phenylhexan-3-one is sourced from PubChem (CID 114992026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).