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

C16H14ClFO3 — CID 62621300

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-20-15-6-4-11(8-16(15)21-2)14(19)7-10-3-5-12(18)9-13(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeyXQZHYTYASRHGNT-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.92
Rot. Bonds5

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

2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 62621300) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID62621300
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-20-15-6-4-11(8-16(15)21-2)14(19)7-10-3-5-12(18)9-13(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeyXQZHYTYASRHGNT-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-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 53417201
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
1-(4-tert-butylphenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63410452
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 63410238
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
CID 70494068
1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011
4-[[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]methyl]benzoate
CID 27013344
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone (CID 62621300) is 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is XQZHYTYASRHGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-20-15-6-4-11(8-16(15)21-2)14(19)7-10-3-5-12(18)9-13(10)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone?
2-(2-chloro-4-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-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 62621300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).