2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone

C16H14ClFO2 — CID 43379521

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1C
InChIInChI=1S/C16H14ClFO2/c1-10-8-11(6-7-16(10)20-2)15(19)9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3
InChIKeyUADJAYDNMFHZSZ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone (PubChem CID 43379521) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
PubChem CID43379521
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1C
InChIInChI=1S/C16H14ClFO2/c1-10-8-11(6-7-16(10)20-2)15(19)9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3
InChIKeyUADJAYDNMFHZSZ-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
(E)-3-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 39433513
2-(2-chloro-6-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 65238914
(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952941
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone (CID 43379521) is 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone is COc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1C.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone?
The InChIKey is UADJAYDNMFHZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-10-8-11(6-7-16(10)20-2)15(19)9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone has a molecular weight of 292.74 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 43379521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).