1,3-difluoro-2-methoxy-5-phenylbenzene

C13H10F2O — CID 164892027

IUPAC1,3-difluoro-2-methoxy-5-phenylbenzene
SMILESCOc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C13H10F2O/c1-16-13-11(14)7-10(8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWNDWEDVWRZHDLV-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.64
Rot. Bonds2

About 1,3-difluoro-2-methoxy-5-phenylbenzene

1,3-difluoro-2-methoxy-5-phenylbenzene (PubChem CID 164892027) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,3-difluoro-2-methoxy-5-phenylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2-methoxy-5-phenylbenzene
PubChem CID164892027
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1,3-difluoro-2-methoxy-5-phenylbenzene
SMILESCOc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C13H10F2O/c1-16-13-11(14)7-10(8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWNDWEDVWRZHDLV-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-octoxy-5-phenylbenzene
CID 15176798
2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene
CID 12994966
1,3-dimethoxy-5-phenylbenzene
CID 11469945
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxy-3-methyl-5-phenylphenol
CID 132557865
2,3-dimethoxy-5-phenylphenol
CID 135042969
2-[2-[4-(3,5-difluoro-4-methoxyphenyl)phenyl]-1-fluorobutyl]naphthalene
CID 68534720
3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
CID 142475732
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
3,5-difluoro-4-methoxybenzenethiol
CID 50998081
ethane;1,3,5-triphenylbenzene
CID 142123051

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methoxy-5-phenylbenzene?
The IUPAC name of 1,3-difluoro-2-methoxy-5-phenylbenzene (CID 164892027) is 1,3-difluoro-2-methoxy-5-phenylbenzene.
What is the SMILES notation for 1,3-difluoro-2-methoxy-5-phenylbenzene?
The canonical SMILES for 1,3-difluoro-2-methoxy-5-phenylbenzene is COc1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-methoxy-5-phenylbenzene?
The InChIKey is WNDWEDVWRZHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c1-16-13-11(14)7-10(8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1,3-difluoro-2-methoxy-5-phenylbenzene?
1,3-difluoro-2-methoxy-5-phenylbenzene has a molecular weight of 220.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methoxy-5-phenylbenzene is sourced from PubChem (CID 164892027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).