1,2,3-trimethoxybenzene

C9H12O3 — CID 12462

IUPAC1,2,3-trimethoxybenzene
SMILESCOc1cccc(OC)c1OC
InChIInChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
InChIKeyCRUILBNAQILVHZ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.71
Rot. Bonds3

About 1,2,3-trimethoxybenzene

1,2,3-trimethoxybenzene (PubChem CID 12462) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name1,2,3-trimethoxybenzene
PubChem CID12462
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1,2,3-trimethoxybenzene
SMILESCOc1cccc(OC)c1OC
InChIInChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
InChIKeyCRUILBNAQILVHZ-UHFFFAOYSA-N
XLogP1.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxybenzene?
The IUPAC name of 1,2,3-trimethoxybenzene (CID 12462) is 1,2,3-trimethoxybenzene.
What is the SMILES notation for 1,2,3-trimethoxybenzene?
The canonical SMILES for 1,2,3-trimethoxybenzene is COc1cccc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxybenzene?
The InChIKey is CRUILBNAQILVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3.
What are the key properties of 1,2,3-trimethoxybenzene?
1,2,3-trimethoxybenzene has a molecular weight of 168.19 g/mol, XLogP of 1.71, 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 is sourced from PubChem (CID 12462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).