2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene

C13H9Cl2FO — CID 69117451

IUPAC2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
SMILESCOc1cccc(F)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FO/c1-17-12-4-2-3-11(16)13(12)9-6-5-8(14)7-10(9)15/h2-7H,1H3
InChIKeyXNYMROPOSUWCNS-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.81
Rot. Bonds2

About 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene

2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene (PubChem CID 69117451) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
PubChem CID69117451
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
SMILESCOc1cccc(F)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FO/c1-17-12-4-2-3-11(16)13(12)9-6-5-8(14)7-10(9)15/h2-7H,1H3
InChIKeyXNYMROPOSUWCNS-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene
CID 69117199
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide
CID 166940333
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
CID 161298518
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene
CID 56650404
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 134627077
[5-(2,4-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867302

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene?
The IUPAC name of 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene (CID 69117451) is 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene is COc1cccc(F)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene?
The InChIKey is XNYMROPOSUWCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c1-17-12-4-2-3-11(16)13(12)9-6-5-8(14)7-10(9)15/h2-7H,1H3.
What are the key properties of 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene?
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene has a molecular weight of 271.12 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene is sourced from PubChem (CID 69117451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).