[(1S)-1-phenylethyl] 3-phenylpropanoate

C17H18O2 — CID 102211488

IUPAC[(1S)-1-phenylethyl] 3-phenylpropanoate
SMILESC[C@H](OC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-14(16-10-6-3-7-11-16)19-17(18)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/t14-/m0/s1
InChIKeyWUDCDDNQDMUSIY-AWEZNQCLSA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds5

About [(1S)-1-phenylethyl] 3-phenylpropanoate

[(1S)-1-phenylethyl] 3-phenylpropanoate (PubChem CID 102211488) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 3-phenylpropanoate
PubChem CID102211488
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name[(1S)-1-phenylethyl] 3-phenylpropanoate
SMILESC[C@H](OC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-14(16-10-6-3-7-11-16)19-17(18)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/t14-/m0/s1
InChIKeyWUDCDDNQDMUSIY-AWEZNQCLSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-phenylethyl] 3-pyridin-3-ylpropanoate
CID 101402334
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
methane;1-phenylethyl butanoate
CID 175131064
1-phenylethyl 3-(2-aminophenyl)propanoate
CID 107273888
[(3S,5S)-5-hydroxy-1-phenylhexan-3-yl] 3-phenylpropanoate
CID 16751051
butan-2-yl 3-phenylpropanoate
CID 562005
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
dichloromethyl 3-phenylpropanoate
CID 174396202
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
1-phenylethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate
CID 86944146
1-phenylethyl 4-(propan-2-ylamino)butanoate
CID 61278056

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 3-phenylpropanoate?
The IUPAC name of [(1S)-1-phenylethyl] 3-phenylpropanoate (CID 102211488) is [(1S)-1-phenylethyl] 3-phenylpropanoate.
What is the SMILES notation for [(1S)-1-phenylethyl] 3-phenylpropanoate?
The canonical SMILES for [(1S)-1-phenylethyl] 3-phenylpropanoate is C[C@H](OC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 3-phenylpropanoate?
The InChIKey is WUDCDDNQDMUSIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18O2/c1-14(16-10-6-3-7-11-16)19-17(18)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/t14-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 3-phenylpropanoate?
[(1S)-1-phenylethyl] 3-phenylpropanoate has a molecular weight of 254.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 3-phenylpropanoate is sourced from PubChem (CID 102211488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).