3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one

C17H16ClFO2 — CID 63567261

IUPAC3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCCc1cc(OCCC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H16ClFO2/c1-2-12-11-15(7-8-16(12)18)21-10-9-17(20)13-3-5-14(19)6-4-13/h3-8,11H,2,9-10H2,1H3
InChIKeyRSDSQNPBYXWBHR-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.69
Rot. Bonds6

About 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one

3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 63567261) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID63567261
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCCc1cc(OCCC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H16ClFO2/c1-2-12-11-15(7-8-16(12)18)21-10-9-17(20)13-3-5-14(19)6-4-13/h3-8,11H,2,9-10H2,1H3
InChIKeyRSDSQNPBYXWBHR-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

3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
CID 43793564
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
4-(4-chloro-3-ethylphenoxy)butanethioamide
CID 43247736
1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
CID 107709274
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 83050986
4-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 60642957
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one (CID 63567261) is 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one is CCc1cc(OCCC(=O)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is RSDSQNPBYXWBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-2-12-11-15(7-8-16(12)18)21-10-9-17(20)13-3-5-14(19)6-4-13/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one 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 3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 63567261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).