ethyl 2-[4-(3-chlorophenyl)phenyl]acetate

C16H15ClO2 — CID 131887311

IUPACethyl 2-[4-(3-chlorophenyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO2/c1-2-19-16(18)10-12-6-8-13(9-7-12)14-4-3-5-15(17)11-14/h3-9,11H,2,10H2,1H3
InChIKeyXRYQBFGYDILDOL-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.11
Rot. Bonds4

About ethyl 2-[4-(3-chlorophenyl)phenyl]acetate

ethyl 2-[4-(3-chlorophenyl)phenyl]acetate (PubChem CID 131887311) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is ethyl 2-[4-(3-chlorophenyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-chlorophenyl)phenyl]acetate
PubChem CID131887311
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Nameethyl 2-[4-(3-chlorophenyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO2/c1-2-19-16(18)10-12-6-8-13(9-7-12)14-4-3-5-15(17)11-14/h3-9,11H,2,10H2,1H3
InChIKeyXRYQBFGYDILDOL-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl (3R)-4-[4-(3-chlorophenyl)phenyl]-3-[[2-(2-ethoxy-2-oxoethoxy)acetyl]amino]butanoate
CID 151983451
ethyl (3R)-4-[4-(3-chlorophenyl)phenyl]-3-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 88576396
ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 67208813
ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 90399401
chloromethane;ethyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate;ethyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 159184442
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 58280549
ethyl 2-phenylacetate
CID 7590
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
ethyl 2-[4-(3-chlorophenyl)-2-oxopyrimido[2,1-b][1,3]benzothiazol-8-yl]acetate
CID 13477954
ethyl 2-[3-[4-(dibenzylamino)phenyl]phenyl]acetate
CID 59464307

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-chlorophenyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(3-chlorophenyl)phenyl]acetate (CID 131887311) is ethyl 2-[4-(3-chlorophenyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-chlorophenyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(3-chlorophenyl)phenyl]acetate is CCOC(=O)Cc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of ethyl 2-[4-(3-chlorophenyl)phenyl]acetate?
The InChIKey is XRYQBFGYDILDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-19-16(18)10-12-6-8-13(9-7-12)14-4-3-5-15(17)11-14/h3-9,11H,2,10H2,1H3.
What are the key properties of ethyl 2-[4-(3-chlorophenyl)phenyl]acetate?
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate has a molecular weight of 274.75 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-chlorophenyl)phenyl]acetate is sourced from PubChem (CID 131887311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).