3-(2-butan-2-ylphenoxy)cyclobutan-1-one

C14H18O2 — CID 66368034

IUPAC3-(2-butan-2-ylphenoxy)cyclobutan-1-one
SMILESCCC(C)c1ccccc1OC1CC(=O)C1
InChIInChI=1S/C14H18O2/c1-3-10(2)13-6-4-5-7-14(13)16-12-8-11(15)9-12/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyKUTLWPAPQTUNIJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.31
Rot. Bonds4

About 3-(2-butan-2-ylphenoxy)cyclobutan-1-one

3-(2-butan-2-ylphenoxy)cyclobutan-1-one (PubChem CID 66368034) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-butan-2-ylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(2-butan-2-ylphenoxy)cyclobutan-1-one
PubChem CID66368034
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(2-butan-2-ylphenoxy)cyclobutan-1-one
SMILESCCC(C)c1ccccc1OC1CC(=O)C1
InChIInChI=1S/C14H18O2/c1-3-10(2)13-6-4-5-7-14(13)16-12-8-11(15)9-12/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyKUTLWPAPQTUNIJ-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132
3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79643366
3-(2-propan-2-ylphenoxy)cyclohexan-1-one
CID 79618145
5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine
CID 68711846
methyl 1-amino-3-(2-butan-2-ylphenoxy)cyclopentane-1-carboxylate
CID 79647954
(2S,4S)-4-(2-butan-2-ylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 56831462
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol
CID 79641071
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
CID 79647774
8-(2-butan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739265
2-[2-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117297539
3-[2-(thian-4-yloxy)phenyl]butanal
CID 117415908

Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-ylphenoxy)cyclobutan-1-one?
The IUPAC name of 3-(2-butan-2-ylphenoxy)cyclobutan-1-one (CID 66368034) is 3-(2-butan-2-ylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 3-(2-butan-2-ylphenoxy)cyclobutan-1-one?
The canonical SMILES for 3-(2-butan-2-ylphenoxy)cyclobutan-1-one is CCC(C)c1ccccc1OC1CC(=O)C1.
What is the InChIKey of 3-(2-butan-2-ylphenoxy)cyclobutan-1-one?
The InChIKey is KUTLWPAPQTUNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-10(2)13-6-4-5-7-14(13)16-12-8-11(15)9-12/h4-7,10,12H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-butan-2-ylphenoxy)cyclobutan-1-one?
3-(2-butan-2-ylphenoxy)cyclobutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-ylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 66368034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).