(2R)-2-phenyl-3-thiophen-2-ylpropanoate

C13H11O2S- — CID 6920017

IUPAC(2R)-2-phenyl-3-thiophen-2-ylpropanoate
SMILESO=C([O-])[C@H](Cc1cccs1)c1ccccc1
InChIInChI=1S/C13H12O2S/c14-13(15)12(9-11-7-4-8-16-11)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,14,15)/p-1/t12-/m1/s1
InChIKeySRDHAZNTMXQYGM-GFCCVEGCSA-M
MW231.30 g/mol
LogP1.82
Rot. Bonds4

About (2R)-2-phenyl-3-thiophen-2-ylpropanoate

(2R)-2-phenyl-3-thiophen-2-ylpropanoate (PubChem CID 6920017) has the molecular formula C13H11O2S- and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R)-2-phenyl-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name(2R)-2-phenyl-3-thiophen-2-ylpropanoate
PubChem CID6920017
Molecular FormulaC13H11O2S-
Molecular Weight231.30 g/mol
Exact Mass231.05
IUPAC Name(2R)-2-phenyl-3-thiophen-2-ylpropanoate
SMILESO=C([O-])[C@H](Cc1cccs1)c1ccccc1
InChIInChI=1S/C13H12O2S/c14-13(15)12(9-11-7-4-8-16-11)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,14,15)/p-1/t12-/m1/s1
InChIKeySRDHAZNTMXQYGM-GFCCVEGCSA-M
XLogP1.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-diphenylpropanoate
CID 6993748
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
CID 63073472
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
CID 134951408
2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 62884026
4-methyl-2-phenylpentanoate
CID 22376993

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-3-thiophen-2-ylpropanoate?
The IUPAC name of (2R)-2-phenyl-3-thiophen-2-ylpropanoate (CID 6920017) is (2R)-2-phenyl-3-thiophen-2-ylpropanoate.
What is the SMILES notation for (2R)-2-phenyl-3-thiophen-2-ylpropanoate?
The canonical SMILES for (2R)-2-phenyl-3-thiophen-2-ylpropanoate is O=C([O-])[C@H](Cc1cccs1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-3-thiophen-2-ylpropanoate?
The InChIKey is SRDHAZNTMXQYGM-GFCCVEGCSA-M. The full InChI is InChI=1S/C13H12O2S/c14-13(15)12(9-11-7-4-8-16-11)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,14,15)/p-1/t12-/m1/s1.
What are the key properties of (2R)-2-phenyl-3-thiophen-2-ylpropanoate?
(2R)-2-phenyl-3-thiophen-2-ylpropanoate has a molecular weight of 231.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 6920017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).