2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone

C17H14ClFO2 — CID 114518830

IUPAC2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H14ClFO2/c18-16-10-13(19)4-1-12(16)9-17(20)11-2-5-14(6-3-11)21-15-7-8-15/h1-6,10,15H,7-9H2
InChIKeyGWRVLRDYBCAMCQ-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone (PubChem CID 114518830) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
PubChem CID114518830
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H14ClFO2/c18-16-10-13(19)4-1-12(16)9-17(20)11-2-5-14(6-3-11)21-15-7-8-15/h1-6,10,15H,7-9H2
InChIKeyGWRVLRDYBCAMCQ-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone (CID 114518830) is 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone is O=C(Cc1ccc(F)cc1Cl)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
The InChIKey is GWRVLRDYBCAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-16-10-13(19)4-1-12(16)9-17(20)11-2-5-14(6-3-11)21-15-7-8-15/h1-6,10,15H,7-9H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone has a molecular weight of 304.75 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone is sourced from PubChem (CID 114518830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).