4-(4-cyclobutylphenyl)butan-2-one

C14H18O — CID 116506735

IUPAC4-(4-cyclobutylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(C2CCC2)cc1
InChIInChI=1S/C14H18O/c1-11(15)5-6-12-7-9-14(10-8-12)13-3-2-4-13/h7-10,13H,2-6H2,1H3
InChIKeyGJRSBEQMEBOHJT-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.48
Rot. Bonds4

About 4-(4-cyclobutylphenyl)butan-2-one

4-(4-cyclobutylphenyl)butan-2-one (PubChem CID 116506735) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)butan-2-one
PubChem CID116506735
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-(4-cyclobutylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(C2CCC2)cc1
InChIInChI=1S/C14H18O/c1-11(15)5-6-12-7-9-14(10-8-12)13-3-2-4-13/h7-10,13H,2-6H2,1H3
InChIKeyGJRSBEQMEBOHJT-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclopentylphenyl)butan-2-one;ethane;3-methylbenzoic acid
CID 143556675
3-[4-(thian-4-yl)phenyl]propanoic acid
CID 117379775
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
2-(4-cyclobutylphenyl)-N-methylethanamine
CID 83829400
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid
CID 117336660
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
4-[4-(1,3-oxazolidin-2-yl)phenyl]butan-2-one
CID 22147748
methyl 5-(4-cyclobutylphenyl)-4-oxopentanoate
CID 116506694
4-[4-(oxan-4-yloxy)phenyl]butan-2-one
CID 63937035
4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
CID 116901689

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)butan-2-one?
The IUPAC name of 4-(4-cyclobutylphenyl)butan-2-one (CID 116506735) is 4-(4-cyclobutylphenyl)butan-2-one.
What is the SMILES notation for 4-(4-cyclobutylphenyl)butan-2-one?
The canonical SMILES for 4-(4-cyclobutylphenyl)butan-2-one is CC(=O)CCc1ccc(C2CCC2)cc1.
What is the InChIKey of 4-(4-cyclobutylphenyl)butan-2-one?
The InChIKey is GJRSBEQMEBOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11(15)5-6-12-7-9-14(10-8-12)13-3-2-4-13/h7-10,13H,2-6H2,1H3.
What are the key properties of 4-(4-cyclobutylphenyl)butan-2-one?
4-(4-cyclobutylphenyl)butan-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)butan-2-one is sourced from PubChem (CID 116506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).