3-(4-ethylphenyl)heptan-4-one

C15H22O — CID 83047463

IUPAC3-(4-ethylphenyl)heptan-4-one
SMILESCCCC(=O)C(CC)c1ccc(CC)cc1
InChIInChI=1S/C15H22O/c1-4-7-15(16)14(6-3)13-10-8-12(5-2)9-11-13/h8-11,14H,4-7H2,1-3H3
InChIKeyQYPFYUFJOAZEJU-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.11
Rot. Bonds6

About 3-(4-ethylphenyl)heptan-4-one

3-(4-ethylphenyl)heptan-4-one (PubChem CID 83047463) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)heptan-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)heptan-4-one
PubChem CID83047463
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-(4-ethylphenyl)heptan-4-one
SMILESCCCC(=O)C(CC)c1ccc(CC)cc1
InChIInChI=1S/C15H22O/c1-4-7-15(16)14(6-3)13-10-8-12(5-2)9-11-13/h8-11,14H,4-7H2,1-3H3
InChIKeyQYPFYUFJOAZEJU-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one
CID 139352321
3-phenyltetradecan-4-one
CID 114968845
1-amino-2-phenylhexan-3-one
CID 116566947
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
1-methoxy-2-phenylhexan-3-one
CID 103466352
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
4-amino-3-(4-ethylphenyl)hexanoic acid
CID 66096909
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)heptan-4-one?
The IUPAC name of 3-(4-ethylphenyl)heptan-4-one (CID 83047463) is 3-(4-ethylphenyl)heptan-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)heptan-4-one?
The canonical SMILES for 3-(4-ethylphenyl)heptan-4-one is CCCC(=O)C(CC)c1ccc(CC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)heptan-4-one?
The InChIKey is QYPFYUFJOAZEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-7-15(16)14(6-3)13-10-8-12(5-2)9-11-13/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)heptan-4-one?
3-(4-ethylphenyl)heptan-4-one has a molecular weight of 218.34 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)heptan-4-one is sourced from PubChem (CID 83047463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).