1,2,3-trimethoxybenzene;hydrofluoride

C9H13FO3 — CID 174818666

IUPAC1,2,3-trimethoxybenzene;hydrofluoride
SMILESCOc1cccc(OC)c1OC.F
InChIInChI=1S/C9H12O3.FH/c1-10-7-5-4-6-8(11-2)9(7)12-3;/h4-6H,1-3H3;1H
InChIKeyBQYNCPMCEHVRCX-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.86
Rot. Bonds3

About 1,2,3-trimethoxybenzene;hydrofluoride

1,2,3-trimethoxybenzene;hydrofluoride (PubChem CID 174818666) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is 1,2,3-trimethoxybenzene;hydrofluoride.

Molecular Properties

Compound Name1,2,3-trimethoxybenzene;hydrofluoride
PubChem CID174818666
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Name1,2,3-trimethoxybenzene;hydrofluoride
SMILESCOc1cccc(OC)c1OC.F
InChIInChI=1S/C9H12O3.FH/c1-10-7-5-4-6-8(11-2)9(7)12-3;/h4-6H,1-3H3;1H
InChIKeyBQYNCPMCEHVRCX-UHFFFAOYSA-N
XLogP1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
CID 174894869
phenol;1,2,3-trimethoxybenzene
CID 174871155
CID 66772828
CID 66772828
propanal;1,2,3-trimethoxybenzene
CID 174975216
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
CID 67570754
CID 67570754
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
CID 19063632
CID 19063632
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
2-ethenoxy-1,3-dimethoxybenzene
CID 66367387
(2,3-dimethoxyphenyl) trifluoromethanesulfonate
CID 22096593

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxybenzene;hydrofluoride?
The IUPAC name of 1,2,3-trimethoxybenzene;hydrofluoride (CID 174818666) is 1,2,3-trimethoxybenzene;hydrofluoride.
What is the SMILES notation for 1,2,3-trimethoxybenzene;hydrofluoride?
The canonical SMILES for 1,2,3-trimethoxybenzene;hydrofluoride is COc1cccc(OC)c1OC.F.
What is the InChIKey of 1,2,3-trimethoxybenzene;hydrofluoride?
The InChIKey is BQYNCPMCEHVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.FH/c1-10-7-5-4-6-8(11-2)9(7)12-3;/h4-6H,1-3H3;1H.
What are the key properties of 1,2,3-trimethoxybenzene;hydrofluoride?
1,2,3-trimethoxybenzene;hydrofluoride has a molecular weight of 188.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxybenzene;hydrofluoride is sourced from PubChem (CID 174818666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).