[(2R)-2-(4-methylphenyl)propyl] acetate

C12H16O2 — CID 11008762

IUPAC[(2R)-2-(4-methylphenyl)propyl] acetate
SMILESCC(=O)OC[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H16O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyXGKCUFHHSUQBHI-JTQLQIEISA-N
MW192.26 g/mol
LogP2.66
Rot. Bonds3

About [(2R)-2-(4-methylphenyl)propyl] acetate

[(2R)-2-(4-methylphenyl)propyl] acetate (PubChem CID 11008762) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [(2R)-2-(4-methylphenyl)propyl] acetate.

Molecular Properties

Compound Name[(2R)-2-(4-methylphenyl)propyl] acetate
PubChem CID11008762
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[(2R)-2-(4-methylphenyl)propyl] acetate
SMILESCC(=O)OC[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H16O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyXGKCUFHHSUQBHI-JTQLQIEISA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-phenylpropyl] acetate
CID 10261650
[4-[(2S)-1-acetyloxypropan-2-yl]phenyl]methyl acetate
CID 10060659
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
methyl 4-[(2S)-1-acetyloxypropan-2-yl]benzoate
CID 10376814
[(2R)-2-acetyloxy-2-(4-methylphenyl)ethyl] acetate
CID 135064978
2-methylpropyl acetate;toluene
CID 19602176
2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 166789153
acetyl 2-(4-methylphenyl)propanoate
CID 174752977
2-(4-methylphenyl)propyl formate
CID 54000579
2-thianthren-2-ylpropyl acetate
CID 54000267
[(2S)-2-methyl-4-(4-methylphenyl)but-3-enyl] acetate
CID 174059188

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methylphenyl)propyl] acetate?
The IUPAC name of [(2R)-2-(4-methylphenyl)propyl] acetate (CID 11008762) is [(2R)-2-(4-methylphenyl)propyl] acetate.
What is the SMILES notation for [(2R)-2-(4-methylphenyl)propyl] acetate?
The canonical SMILES for [(2R)-2-(4-methylphenyl)propyl] acetate is CC(=O)OC[C@H](C)c1ccc(C)cc1.
What is the InChIKey of [(2R)-2-(4-methylphenyl)propyl] acetate?
The InChIKey is XGKCUFHHSUQBHI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4-7,10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(2R)-2-(4-methylphenyl)propyl] acetate?
[(2R)-2-(4-methylphenyl)propyl] acetate has a molecular weight of 192.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methylphenyl)propyl] acetate is sourced from PubChem (CID 11008762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).