methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate

C17H18O3 — CID 134965407

IUPACmethyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O3/c1-19-15-10-8-14(9-11-15)16(12-17(18)20-2)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChIKeyXYJSFMQRJILYSI-INIZCTEOSA-N
MW270.33 g/mol
LogP3.39
Rot. Bonds5

About methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate

methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate (PubChem CID 134965407) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
PubChem CID134965407
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O3/c1-19-15-10-8-14(9-11-15)16(12-17(18)20-2)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChIKeyXYJSFMQRJILYSI-INIZCTEOSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-iodophenyl)-3-phenylpropanoate
CID 23729956
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
(4S)-N-tert-butyl-4-(4-methoxyphenyl)-2-oxo-4-phenylbutanamide
CID 134950823
methyl (3R,4S)-4-(4-methoxyphenyl)-5-nitro-3-phenylpentanoate
CID 102173330
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
CID 175534287
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate?
The IUPAC name of methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate (CID 134965407) is methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate.
What is the SMILES notation for methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate?
The canonical SMILES for methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate is COC(=O)C[C@@H](c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate?
The InChIKey is XYJSFMQRJILYSI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-15-10-8-14(9-11-15)16(12-17(18)20-2)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate?
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate has a molecular weight of 270.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate is sourced from PubChem (CID 134965407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).