2-[4-(2-methylpropyl)phenyl]propyl acetate

C15H22O2 — CID 12905360

IUPAC2-[4-(2-methylpropyl)phenyl]propyl acetate
SMILESCC(=O)OCC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22O2/c1-11(2)9-14-5-7-15(8-6-14)12(3)10-17-13(4)16/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGHSPRSYYTJESSJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.55
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]propyl acetate

2-[4-(2-methylpropyl)phenyl]propyl acetate (PubChem CID 12905360) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]propyl acetate.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]propyl acetate
PubChem CID12905360
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[4-(2-methylpropyl)phenyl]propyl acetate
SMILESCC(=O)OCC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22O2/c1-11(2)9-14-5-7-15(8-6-14)12(3)10-17-13(4)16/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGHSPRSYYTJESSJ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S)-1-acetyloxypropan-2-yl]phenyl]methyl acetate
CID 10060659
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 90141636
[(2S)-2-phenylpropyl] acetate
CID 10261650
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
methyl 4-[(2S)-1-acetyloxypropan-2-yl]benzoate
CID 10376814
2-[4-(2-methylpropyl)phenyl]propyl hypochlorite
CID 70617682
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
CID 10264130
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
CID 118260411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]propyl acetate?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]propyl acetate (CID 12905360) is 2-[4-(2-methylpropyl)phenyl]propyl acetate.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]propyl acetate?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]propyl acetate is CC(=O)OCC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]propyl acetate?
The InChIKey is GHSPRSYYTJESSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)9-14-5-7-15(8-6-14)12(3)10-17-13(4)16/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]propyl acetate?
2-[4-(2-methylpropyl)phenyl]propyl acetate has a molecular weight of 234.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]propyl acetate is sourced from PubChem (CID 12905360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).