2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one

C15H22O2 — CID 64866513

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H22O2/c1-6-14(16)12(5)17-15-9-11(4)7-8-13(15)10(2)3/h7-10,12H,6H2,1-5H3
InChIKeyBKKWUAXOHZSEMK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.86
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one

2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one (PubChem CID 64866513) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
PubChem CID64866513
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H22O2/c1-6-14(16)12(5)17-15-9-11(4)7-8-13(15)10(2)3/h7-10,12H,6H2,1-5H3
InChIKeyBKKWUAXOHZSEMK-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119190845
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
4-ethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792665

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one (CID 64866513) is 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one is CCC(=O)C(C)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one?
The InChIKey is BKKWUAXOHZSEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-14(16)12(5)17-15-9-11(4)7-8-13(15)10(2)3/h7-10,12H,6H2,1-5H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one?
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one is sourced from PubChem (CID 64866513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).