3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one

C14H20O2 — CID 116692176

IUPAC3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one
SMILESCC(C)C(C)OCCC(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-11(2)12(3)16-10-9-14(15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyMKDWUUDVLFNPDI-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.32
Rot. Bonds6

About 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one

3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one (PubChem CID 116692176) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one
PubChem CID116692176
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one
SMILESCC(C)C(C)OCCC(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-11(2)12(3)16-10-9-14(15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyMKDWUUDVLFNPDI-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-one
CID 116692171
3-methoxy-1-phenylpropan-1-one
CID 10942788
trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium
CID 121316835
(3-oxo-3-phenylpropyl) hydrogen sulfite
CID 174749315
2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460803
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
5-hydroxy-1-phenylhexane-1,4-dione
CID 102259650
4-chloro-1-phenylpentan-1-one
CID 14472970
1-phenyl-4-propoxyhexan-1-one
CID 57063907
1-phenylbutan-1-one
CID 10315
4-[(2S)-3-methylbutan-2-yl]oxybutan-2-one
CID 170366778
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one?
The IUPAC name of 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one (CID 116692176) is 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one is CC(C)C(C)OCCC(=O)c1ccccc1.
What is the InChIKey of 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one?
The InChIKey is MKDWUUDVLFNPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)12(3)16-10-9-14(15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one?
3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one is sourced from PubChem (CID 116692176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).