4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one

C15H22O2 — CID 55179591

IUPAC4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one
SMILESCC(C)OCCC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(2)17-11-10-14(16)15(3,4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyDVUIDVPAKPSUKN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds6

About 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one

4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one (PubChem CID 55179591) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one.

Molecular Properties

Compound Name4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one
PubChem CID55179591
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one
SMILESCC(C)OCCC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(2)17-11-10-14(16)15(3,4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyDVUIDVPAKPSUKN-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate
CID 118088605
1-phenoxy-4-propan-2-yloxybutan-2-one
CID 115001458
2-methyl-2-phenylhex-5-yn-3-one
CID 63084664
2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
CID 159710699
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
(1-ethoxy-1-hydroxy-3-methylbutan-2-yl) 2-methyl-2-phenylpropanoate
CID 126626056
diaziridin-3-one;propan-2-yl 2-methyl-2-phenylpropanoate
CID 70622755
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
CID 118311634
2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
CID 66060643
2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
CID 150218147

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one?
The IUPAC name of 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one (CID 55179591) is 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one.
What is the SMILES notation for 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one?
The canonical SMILES for 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one is CC(C)OCCC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one?
The InChIKey is DVUIDVPAKPSUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)17-11-10-14(16)15(3,4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one?
4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one is sourced from PubChem (CID 55179591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).