1-fluoro-2,3,5-trimethoxybenzene

C9H11FO3 — CID 151392889

IUPAC1-fluoro-2,3,5-trimethoxybenzene
SMILESCOc1cc(F)c(OC)c(OC)c1
InChIInChI=1S/C9H11FO3/c1-11-6-4-7(10)9(13-3)8(5-6)12-2/h4-5H,1-3H3
InChIKeyOUUXGWJESZIAAB-UHFFFAOYSA-N
MW186.18 g/mol
LogP1.85
Rot. Bonds3

About 1-fluoro-2,3,5-trimethoxybenzene

1-fluoro-2,3,5-trimethoxybenzene (PubChem CID 151392889) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 1-fluoro-2,3,5-trimethoxybenzene.

Molecular Properties

Compound Name1-fluoro-2,3,5-trimethoxybenzene
PubChem CID151392889
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name1-fluoro-2,3,5-trimethoxybenzene
SMILESCOc1cc(F)c(OC)c(OC)c1
InChIInChI=1S/C9H11FO3/c1-11-6-4-7(10)9(13-3)8(5-6)12-2/h4-5H,1-3H3
InChIKeyOUUXGWJESZIAAB-UHFFFAOYSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
2-fluoro-4,6-dimethoxybenzenethiol
CID 91874712
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
1,3,6,8-tetramethoxyacridine
CID 175793272
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2,3,5-trimethoxybenzenesulfinate
CID 67493178
2-fluoro-1,4,8-trimethoxynaphthalene
CID 11253337
(2,4,6-trimethoxyphenyl) acetate
CID 68597137

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3,5-trimethoxybenzene?
The IUPAC name of 1-fluoro-2,3,5-trimethoxybenzene (CID 151392889) is 1-fluoro-2,3,5-trimethoxybenzene.
What is the SMILES notation for 1-fluoro-2,3,5-trimethoxybenzene?
The canonical SMILES for 1-fluoro-2,3,5-trimethoxybenzene is COc1cc(F)c(OC)c(OC)c1.
What is the InChIKey of 1-fluoro-2,3,5-trimethoxybenzene?
The InChIKey is OUUXGWJESZIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3/c1-11-6-4-7(10)9(13-3)8(5-6)12-2/h4-5H,1-3H3.
What are the key properties of 1-fluoro-2,3,5-trimethoxybenzene?
1-fluoro-2,3,5-trimethoxybenzene has a molecular weight of 186.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3,5-trimethoxybenzene is sourced from PubChem (CID 151392889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).