ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate

C16H15ClO2 — CID 124634186

IUPACethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
SMILESCCOC(=O)[C@H](Cl)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H15ClO2/c1-2-19-16(18)15(17)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3/t15-/m1/s1
InChIKeyCDXAXFDOBJVADP-OAHLLOKOSA-N
MW274.75 g/mol
LogP4.20
Rot. Bonds4

About ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate

ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate (PubChem CID 124634186) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
PubChem CID124634186
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Nameethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
SMILESCCOC(=O)[C@H](Cl)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H15ClO2/c1-2-19-16(18)15(17)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3/t15-/m1/s1
InChIKeyCDXAXFDOBJVADP-OAHLLOKOSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid
CID 163208297
ethyl 2-chloro-2-(2-nitrophenyl)acetate
CID 104574680
2-(2-phenylphenyl)pentanoic acid
CID 67565626
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522
ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate
CID 171673323
diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate
CID 3756272
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-chloro-2-(4-nitronaphthalen-1-yl)acetate
CID 14667768
ethyl (2S)-2-[N-(fluoromethyl)-2-phenylanilino]propanoate
CID 141179490
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
diethyl 2-[amino-[2-(1-amino-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methyl]propanedioate
CID 54350846

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate?
The IUPAC name of ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate (CID 124634186) is ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate is CCOC(=O)[C@H](Cl)c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate?
The InChIKey is CDXAXFDOBJVADP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-19-16(18)15(17)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate?
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate has a molecular weight of 274.75 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate is sourced from PubChem (CID 124634186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).