2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone

C17H14ClFO2 — CID 114521127

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H14ClFO2/c18-16-10-13(19)5-4-11(16)9-17(20)12-2-1-3-15(8-12)21-14-6-7-14/h1-5,8,10,14H,6-7,9H2
InChIKeyAVRKPVSVROZPCW-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone (PubChem CID 114521127) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone
PubChem CID114521127
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H14ClFO2/c18-16-10-13(19)5-4-11(16)9-17(20)12-2-1-3-15(8-12)21-14-6-7-14/h1-5,8,10,14H,6-7,9H2
InChIKeyAVRKPVSVROZPCW-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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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518830
3-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]oxybenzoic acid
CID 166295366
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
(4-chloro-2,5-difluorophenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813318
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311606
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 63410238
(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
CID 2215684
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone (CID 114521127) is 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone is O=C(Cc1ccc(F)cc1Cl)c1cccc(OC2CC2)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone?
The InChIKey is AVRKPVSVROZPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-16-10-13(19)5-4-11(16)9-17(20)12-2-1-3-15(8-12)21-14-6-7-14/h1-5,8,10,14H,6-7,9H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(3-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-(3-cyclopropyloxyphenyl)ethanone is sourced from PubChem (CID 114521127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).