5-(2-tert-butylphenoxy)pentan-2-one

C15H22O2 — CID 43793545

IUPAC5-(2-tert-butylphenoxy)pentan-2-one
SMILESCC(=O)CCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-12(16)8-7-11-17-14-10-6-5-9-13(14)15(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyCULCCSGRESIXCH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.73
Rot. Bonds5

About 5-(2-tert-butylphenoxy)pentan-2-one

5-(2-tert-butylphenoxy)pentan-2-one (PubChem CID 43793545) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(2-tert-butylphenoxy)pentan-2-one.

Molecular Properties

Compound Name5-(2-tert-butylphenoxy)pentan-2-one
PubChem CID43793545
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-(2-tert-butylphenoxy)pentan-2-one
SMILESCC(=O)CCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-12(16)8-7-11-17-14-10-6-5-9-13(14)15(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyCULCCSGRESIXCH-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
6-[2-(trifluoromethoxy)phenoxy]hexan-2-one
CID 113497423
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
2-(2-tert-butylphenoxy)acetamide
CID 17051379
acetyl 2-(2-tert-butylphenoxy)acetate
CID 87336572
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
CID 113438517
4-(2-fluorophenoxy)butan-2-one
CID 28948853

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylphenoxy)pentan-2-one?
The IUPAC name of 5-(2-tert-butylphenoxy)pentan-2-one (CID 43793545) is 5-(2-tert-butylphenoxy)pentan-2-one.
What is the SMILES notation for 5-(2-tert-butylphenoxy)pentan-2-one?
The canonical SMILES for 5-(2-tert-butylphenoxy)pentan-2-one is CC(=O)CCCOc1ccccc1C(C)(C)C.
What is the InChIKey of 5-(2-tert-butylphenoxy)pentan-2-one?
The InChIKey is CULCCSGRESIXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(16)8-7-11-17-14-10-6-5-9-13(14)15(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 5-(2-tert-butylphenoxy)pentan-2-one?
5-(2-tert-butylphenoxy)pentan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylphenoxy)pentan-2-one is sourced from PubChem (CID 43793545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).