2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone

C17H16ClFO2 — CID 83052607

IUPAC2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFO2/c1-2-4-12-7-9-13(10-8-12)16(20)11-21-17-14(18)5-3-6-15(17)19/h3,5-10H,2,4,11H2,1H3
InChIKeyLVXQOUDTHAQCSZ-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.69
Rot. Bonds6

About 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone

2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone (PubChem CID 83052607) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
PubChem CID83052607
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFO2/c1-2-4-12-7-9-13(10-8-12)16(20)11-21-17-14(18)5-3-6-15(17)19/h3,5-10H,2,4,11H2,1H3
InChIKeyLVXQOUDTHAQCSZ-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60626549
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 83052615
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60623922
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 83050986
2-(2,6-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60626540
2-(2-fluorophenyl)-1-(4-propylphenyl)ethanone
CID 43338005
2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
CID 83050552
(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
CID 107996346
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanone
CID 43799719

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone (CID 83052607) is 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)COc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone?
The InChIKey is LVXQOUDTHAQCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-2-4-12-7-9-13(10-8-12)16(20)11-21-17-14(18)5-3-6-15(17)19/h3,5-10H,2,4,11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone?
2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone has a molecular weight of 306.76 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 83052607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).