4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one

C15H22O2 — CID 170366215

IUPAC4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one
SMILESCC(=O)CCOCc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H22O2/c1-11(2)14-6-5-12(3)15(9-14)10-17-8-7-13(4)16/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyGEFVWTJMQDISHA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds6

About 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one

4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one (PubChem CID 170366215) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one.

Molecular Properties

Compound Name4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one
PubChem CID170366215
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one
SMILESCC(=O)CCOCc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H22O2/c1-11(2)14-6-5-12(3)15(9-14)10-17-8-7-13(4)16/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyGEFVWTJMQDISHA-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one?
The IUPAC name of 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one (CID 170366215) is 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one.
What is the SMILES notation for 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one?
The canonical SMILES for 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one is CC(=O)CCOCc1cc(C(C)C)ccc1C.
What is the InChIKey of 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one?
The InChIKey is GEFVWTJMQDISHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)14-6-5-12(3)15(9-14)10-17-8-7-13(4)16/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one?
4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one is sourced from PubChem (CID 170366215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).