2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene

C15H14F2O3 — CID 175990083

IUPAC2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(-c2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C15H14F2O3/c1-18-9-7-12(19-2)15(13(8-9)20-3)14-10(16)5-4-6-11(14)17/h4-8H,1-3H3
InChIKeyVZQPBHQJFIVSJV-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.66
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene

2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene (PubChem CID 175990083) has the molecular formula C15H14F2O3 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
PubChem CID175990083
Molecular FormulaC15H14F2O3
Molecular Weight280.27 g/mol
Exact Mass280.09
IUPAC Name2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(-c2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C15H14F2O3/c1-18-9-7-12(19-2)15(13(8-9)20-3)14-10(16)5-4-6-11(14)17/h4-8H,1-3H3
InChIKeyVZQPBHQJFIVSJV-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
CID 107602929
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
4-(2,6-difluorophenyl)-5-(3,5-dimethoxyphenyl)-3-fluoro-6-methylpyridazine
CID 66926845
2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene (CID 175990083) is 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene is COc1cc(OC)c(-c2c(F)cccc2F)c(OC)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene?
The InChIKey is VZQPBHQJFIVSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3/c1-18-9-7-12(19-2)15(13(8-9)20-3)14-10(16)5-4-6-11(14)17/h4-8H,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene?
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene has a molecular weight of 280.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene is sourced from PubChem (CID 175990083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).