2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone

C16H14ClFO3 — CID 43160866

IUPAC2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-20-15-7-6-10(8-16(15)21-2)14(19)9-11-12(17)4-3-5-13(11)18/h3-8H,9H2,1-2H3
InChIKeyPXMPAYSWUSEUJA-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.92
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 43160866) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID43160866
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-20-15-7-6-10(8-16(15)21-2)14(19)9-11-12(17)4-3-5-13(11)18/h3-8H,9H2,1-2H3
InChIKeyPXMPAYSWUSEUJA-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 19329449
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847868

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone (CID 43160866) is 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1OC.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is PXMPAYSWUSEUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-20-15-7-6-10(8-16(15)21-2)14(19)9-11-12(17)4-3-5-13(11)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 308.74 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 43160866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).