(2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate

C21H16ClFO2 — CID 2363959

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C21H16ClFO2/c22-19-7-4-8-20(23)18(19)14-25-21(24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-12H,13-14H2
InChIKeyDZEVJPCMBCGHAJ-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.43
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate

(2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate (PubChem CID 2363959) has the molecular formula C21H16ClFO2 and a molecular weight of 354.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate
PubChem CID2363959
Molecular FormulaC21H16ClFO2
Molecular Weight354.81 g/mol
Exact Mass354.08
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C21H16ClFO2/c22-19-7-4-8-20(23)18(19)14-25-21(24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-12H,13-14H2
InChIKeyDZEVJPCMBCGHAJ-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate (CID 2363959) is (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate is O=C(Cc1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate?
The InChIKey is DZEVJPCMBCGHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFO2/c22-19-7-4-8-20(23)18(19)14-25-21(24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-12H,13-14H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate has a molecular weight of 354.81 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 2363959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).