4-(4-cyclohexylphenyl)-4-oxobutanal

C16H20O2 — CID 175457718

IUPAC4-(4-cyclohexylphenyl)-4-oxobutanal
SMILESO=CCCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H20O2/c17-12-4-7-16(18)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-13H,1-7H2
InChIKeyBGBRUDUPAHPRAI-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.90
Rot. Bonds5

About 4-(4-cyclohexylphenyl)-4-oxobutanal

4-(4-cyclohexylphenyl)-4-oxobutanal (PubChem CID 175457718) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-4-oxobutanal.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-4-oxobutanal
PubChem CID175457718
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4-(4-cyclohexylphenyl)-4-oxobutanal
SMILESO=CCCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H20O2/c17-12-4-7-16(18)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-13H,1-7H2
InChIKeyBGBRUDUPAHPRAI-UHFFFAOYSA-N
XLogP3.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclohexylphenyl)octan-1-one
CID 63491113
1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 3753475
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-(4-cyclohexylphenyl)-2-pyridin-4-ylethanone
CID 22282352
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 18336251
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-4-oxobutanal?
The IUPAC name of 4-(4-cyclohexylphenyl)-4-oxobutanal (CID 175457718) is 4-(4-cyclohexylphenyl)-4-oxobutanal.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-4-oxobutanal?
The canonical SMILES for 4-(4-cyclohexylphenyl)-4-oxobutanal is O=CCCC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-4-oxobutanal?
The InChIKey is BGBRUDUPAHPRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-12-4-7-16(18)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-13H,1-7H2.
What are the key properties of 4-(4-cyclohexylphenyl)-4-oxobutanal?
4-(4-cyclohexylphenyl)-4-oxobutanal has a molecular weight of 244.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-4-oxobutanal is sourced from PubChem (CID 175457718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).