5-(4-fluorophenyl)-1,2,3-trimethoxybenzene

C15H15FO3 — CID 45156545

IUPAC5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
SMILESCOc1cc(-c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C15H15FO3/c1-17-13-8-11(9-14(18-2)15(13)19-3)10-4-6-12(16)7-5-10/h4-9H,1-3H3
InChIKeyVFRUQUMDJIEBKK-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.52
Rot. Bonds4

About 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene

5-(4-fluorophenyl)-1,2,3-trimethoxybenzene (PubChem CID 45156545) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
PubChem CID45156545
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
SMILESCOc1cc(-c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C15H15FO3/c1-17-13-8-11(9-14(18-2)15(13)19-3)10-4-6-12(16)7-5-10/h4-9H,1-3H3
InChIKeyVFRUQUMDJIEBKK-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene?
The IUPAC name of 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene (CID 45156545) is 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene is COc1cc(-c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene?
The InChIKey is VFRUQUMDJIEBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c1-17-13-8-11(9-14(18-2)15(13)19-3)10-4-6-12(16)7-5-10/h4-9H,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene?
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene has a molecular weight of 262.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,2,3-trimethoxybenzene is sourced from PubChem (CID 45156545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).