4-(4-tert-butylphenyl)cyclohex-3-en-1-one

C16H20O — CID 83260999

IUPAC4-(4-tert-butylphenyl)cyclohex-3-en-1-one
SMILESCC(C)(C)c1ccc(C2=CCC(=O)CC2)cc1
InChIInChI=1S/C16H20O/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyWZXFDVAJBYEAOA-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.12
Rot. Bonds1

About 4-(4-tert-butylphenyl)cyclohex-3-en-1-one

4-(4-tert-butylphenyl)cyclohex-3-en-1-one (PubChem CID 83260999) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)cyclohex-3-en-1-one
PubChem CID83260999
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name4-(4-tert-butylphenyl)cyclohex-3-en-1-one
SMILESCC(C)(C)c1ccc(C2=CCC(=O)CC2)cc1
InChIInChI=1S/C16H20O/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyWZXFDVAJBYEAOA-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)cyclohex-3-en-1-one?
The IUPAC name of 4-(4-tert-butylphenyl)cyclohex-3-en-1-one (CID 83260999) is 4-(4-tert-butylphenyl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(4-tert-butylphenyl)cyclohex-3-en-1-one is CC(C)(C)c1ccc(C2=CCC(=O)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)cyclohex-3-en-1-one?
The InChIKey is WZXFDVAJBYEAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)cyclohex-3-en-1-one?
4-(4-tert-butylphenyl)cyclohex-3-en-1-one has a molecular weight of 228.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)cyclohex-3-en-1-one is sourced from PubChem (CID 83260999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).