1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one

C16H13Cl2FO2 — CID 107659489

IUPAC1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
SMILESCc1cccc(OC(C)C(=O)c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C16H13Cl2FO2/c1-9-4-3-5-14(15(9)19)21-10(2)16(20)12-7-6-11(17)8-13(12)18/h3-8,10H,1-2H3
InChIKeyNFZYIKNZSBDZOX-UHFFFAOYSA-N
MW327.18 g/mol
LogP5.09
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one

1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one (PubChem CID 107659489) has the molecular formula C16H13Cl2FO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
PubChem CID107659489
Molecular FormulaC16H13Cl2FO2
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
SMILESCc1cccc(OC(C)C(=O)c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C16H13Cl2FO2/c1-9-4-3-5-14(15(9)19)21-10(2)16(20)12-7-6-11(17)8-13(12)18/h3-8,10H,1-2H3
InChIKeyNFZYIKNZSBDZOX-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.18
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 107285078
2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567423
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
3-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62030483
1-(3-chlorophenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412974
1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799481
2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 105123701
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one (CID 107659489) is 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one is Cc1cccc(OC(C)C(=O)c2ccc(Cl)cc2Cl)c1F.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one?
The InChIKey is NFZYIKNZSBDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO2/c1-9-4-3-5-14(15(9)19)21-10(2)16(20)12-7-6-11(17)8-13(12)18/h3-8,10H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one?
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one has a molecular weight of 327.18 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one is sourced from PubChem (CID 107659489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).