2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone

C10H10ClFO2 — CID 171018656

IUPAC2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CCl)c(F)c1C
InChIInChI=1S/C10H10ClFO2/c1-6-9(14-2)4-3-7(10(6)12)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyASHLDLNVZMCRSG-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.56
Rot. Bonds3

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

2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone (PubChem CID 171018656) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
PubChem CID171018656
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CCl)c(F)c1C
InChIInChI=1S/C10H10ClFO2/c1-6-9(14-2)4-3-7(10(6)12)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyASHLDLNVZMCRSG-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
CID 130769171
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
4-(2-chloro-4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 21483945
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone (CID 171018656) is 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone is COc1ccc(C(=O)CCl)c(F)c1C.
What is the InChIKey of 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone?
The InChIKey is ASHLDLNVZMCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6-9(14-2)4-3-7(10(6)12)8(13)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone?
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone has a molecular weight of 216.64 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 171018656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).