1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene

C11H14ClFO — CID 130224423

IUPAC1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
SMILESCOc1c(F)cc(Cl)c(C)c1C(C)C
InChIInChI=1S/C11H14ClFO/c1-6(2)10-7(3)8(12)5-9(13)11(10)14-4/h5-6H,1-4H3
InChIKeyLZKCZEGFQXZING-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.92
Rot. Bonds2

About 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene

1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene (PubChem CID 130224423) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
PubChem CID130224423
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
SMILESCOc1c(F)cc(Cl)c(C)c1C(C)C
InChIInChI=1S/C11H14ClFO/c1-6(2)10-7(3)8(12)5-9(13)11(10)14-4/h5-6H,1-4H3
InChIKeyLZKCZEGFQXZING-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
CID 84683281
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene?
The IUPAC name of 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene (CID 130224423) is 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene is COc1c(F)cc(Cl)c(C)c1C(C)C.
What is the InChIKey of 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene?
The InChIKey is LZKCZEGFQXZING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-6(2)10-7(3)8(12)5-9(13)11(10)14-4/h5-6H,1-4H3.
What are the key properties of 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene?
1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene has a molecular weight of 216.68 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene is sourced from PubChem (CID 130224423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).