[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate

C19H22O2 — CID 100981005

IUPAC[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-15-8-10-17(11-9-15)12-13-19(20)21-14-16(2)18-6-4-3-5-7-18/h3-11,16H,12-14H2,1-2H3/t16-/m0/s1
InChIKeyQOYWIZVLDQHTRS-INIZCTEOSA-N
MW282.38 g/mol
LogP4.27
Rot. Bonds6

About [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate

[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate (PubChem CID 100981005) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate
PubChem CID100981005
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-15-8-10-17(11-9-15)12-13-19(20)21-14-16(2)18-6-4-3-5-7-18/h3-11,16H,12-14H2,1-2H3/t16-/m0/s1
InChIKeyQOYWIZVLDQHTRS-INIZCTEOSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate
CID 101189000
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
2-phenylpropyl 2-methylpropanoate
CID 576240
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2R)-2-phenylpropyl] carbamate
CID 175384997
ethyl 3-[4-[(2R)-2-(cyclodecapentaenyl)-2-hydroxyethoxy]phenyl]propanoate
CID 144781228
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
CID 19220587
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
(4-methoxy-2-methylbutyl) 3-phenylpropanoate
CID 91702047

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate?
The IUPAC name of [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate (CID 100981005) is [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate.
What is the SMILES notation for [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate?
The canonical SMILES for [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate is Cc1ccc(CCC(=O)OC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate?
The InChIKey is QOYWIZVLDQHTRS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22O2/c1-15-8-10-17(11-9-15)12-13-19(20)21-14-16(2)18-6-4-3-5-7-18/h3-11,16H,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate?
[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate has a molecular weight of 282.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate is sourced from PubChem (CID 100981005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).