1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone

C15H12ClFO2 — CID 21320554

IUPAC1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFO2/c1-9(18)10-3-5-13(15(7-10)19-2)12-6-4-11(17)8-14(12)16/h3-8H,1-2H3
InChIKeyAUVCEVYLWQVNAU-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.36
Rot. Bonds3

About 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone

1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone (PubChem CID 21320554) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone
PubChem CID21320554
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFO2/c1-9(18)10-3-5-13(15(7-10)19-2)12-6-4-11(17)8-14(12)16/h3-8H,1-2H3
InChIKeyAUVCEVYLWQVNAU-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone (CID 21320554) is 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone?
The InChIKey is AUVCEVYLWQVNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-9(18)10-3-5-13(15(7-10)19-2)12-6-4-11(17)8-14(12)16/h3-8H,1-2H3.
What are the key properties of 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone?
1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone has a molecular weight of 278.71 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenyl)-3-methoxyphenyl]ethanone is sourced from PubChem (CID 21320554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).