[1-(4-chlorophenyl)-1-phenylethyl] acetate

C16H15ClO2 — CID 91711168

IUPAC[1-(4-chlorophenyl)-1-phenylethyl] acetate
SMILESCC(=O)OC(C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-12(18)19-16(2,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11H,1-2H3
InChIKeyHAIJGZNGBMBSQM-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.17
Rot. Bonds3

About [1-(4-chlorophenyl)-1-phenylethyl] acetate

[1-(4-chlorophenyl)-1-phenylethyl] acetate (PubChem CID 91711168) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1-phenylethyl] acetate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-1-phenylethyl] acetate
PubChem CID91711168
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name[1-(4-chlorophenyl)-1-phenylethyl] acetate
SMILESCC(=O)OC(C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-12(18)19-16(2,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11H,1-2H3
InChIKeyHAIJGZNGBMBSQM-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-1-phenylethyl] acetate?
The IUPAC name of [1-(4-chlorophenyl)-1-phenylethyl] acetate (CID 91711168) is [1-(4-chlorophenyl)-1-phenylethyl] acetate.
What is the SMILES notation for [1-(4-chlorophenyl)-1-phenylethyl] acetate?
The canonical SMILES for [1-(4-chlorophenyl)-1-phenylethyl] acetate is CC(=O)OC(C)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-1-phenylethyl] acetate?
The InChIKey is HAIJGZNGBMBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12(18)19-16(2,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11H,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-1-phenylethyl] acetate?
[1-(4-chlorophenyl)-1-phenylethyl] acetate has a molecular weight of 274.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-1-phenylethyl] acetate is sourced from PubChem (CID 91711168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).