4-ethyl-1-phenyloctan-1-one

C16H24O — CID 63399594

IUPAC4-ethyl-1-phenyloctan-1-one
SMILESCCCCC(CC)CCC(=O)c1ccccc1
InChIInChI=1S/C16H24O/c1-3-5-9-14(4-2)12-13-16(17)15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3
InChIKeyOAEGIHWZNMPCAG-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.87
Rot. Bonds8

About 4-ethyl-1-phenyloctan-1-one

4-ethyl-1-phenyloctan-1-one (PubChem CID 63399594) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-ethyl-1-phenyloctan-1-one.

Molecular Properties

Compound Name4-ethyl-1-phenyloctan-1-one
PubChem CID63399594
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-ethyl-1-phenyloctan-1-one
SMILESCCCCC(CC)CCC(=O)c1ccccc1
InChIInChI=1S/C16H24O/c1-3-5-9-14(4-2)12-13-16(17)15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3
InChIKeyOAEGIHWZNMPCAG-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-phenylpentan-1-one
CID 143728184
1-phenylheptadecan-1-one
CID 577626
4-bromo-1-phenyldecan-1-one
CID 69172735
1-phenylbutan-1-one
CID 10315
2-benzhydrylidene-4-ethyloctanoic acid
CID 57302875
benzoic acid;2-ethyl-N,N-dimethylhexan-1-amine
CID 175078681
3-chloro-1-phenylheptan-1-one
CID 11775823
1-phenyl-4-propoxyhexan-1-one
CID 57063907
N-chloro-N-(2-ethylhexyl)benzamide
CID 150667226
1-phenylbutan-1-one;hydrobromide
CID 139638507
benzoic acid;2-ethylhexyl benzoate
CID 90214866
1-phenylnonane-1,4-dione
CID 570990

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenyloctan-1-one?
The IUPAC name of 4-ethyl-1-phenyloctan-1-one (CID 63399594) is 4-ethyl-1-phenyloctan-1-one.
What is the SMILES notation for 4-ethyl-1-phenyloctan-1-one?
The canonical SMILES for 4-ethyl-1-phenyloctan-1-one is CCCCC(CC)CCC(=O)c1ccccc1.
What is the InChIKey of 4-ethyl-1-phenyloctan-1-one?
The InChIKey is OAEGIHWZNMPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-5-9-14(4-2)12-13-16(17)15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3.
What are the key properties of 4-ethyl-1-phenyloctan-1-one?
4-ethyl-1-phenyloctan-1-one has a molecular weight of 232.37 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenyloctan-1-one is sourced from PubChem (CID 63399594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).