1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene

C14H11Cl2FO — CID 70310882

IUPAC1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2FO/c1-8-6-9(17)7-10(14(8)18-2)13-11(15)4-3-5-12(13)16/h3-7H,1-2H3
InChIKeyYHUVAPBVUIJBHL-UHFFFAOYSA-N
MW285.15 g/mol
LogP5.12
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene

1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene (PubChem CID 70310882) has the molecular formula C14H11Cl2FO and a molecular weight of 285.15 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene
PubChem CID70310882
Molecular FormulaC14H11Cl2FO
Molecular Weight285.15 g/mol
Exact Mass284.02
IUPAC Name1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2FO/c1-8-6-9(17)7-10(14(8)18-2)13-11(15)4-3-5-12(13)16/h3-7H,1-2H3
InChIKeyYHUVAPBVUIJBHL-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.15
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene (CID 70310882) is 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene is COc1c(C)cc(F)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene?
The InChIKey is YHUVAPBVUIJBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c1-8-6-9(17)7-10(14(8)18-2)13-11(15)4-3-5-12(13)16/h3-7H,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene?
1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene has a molecular weight of 285.15 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene is sourced from PubChem (CID 70310882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).