2-methoxy-1,3,4-trimethylbenzene

C10H14O — CID 591604

IUPAC2-methoxy-1,3,4-trimethylbenzene
SMILESCOc1c(C)ccc(C)c1C
InChIInChI=1S/C10H14O/c1-7-5-6-8(2)10(11-4)9(7)3/h5-6H,1-4H3
InChIKeyMIOQAXCZXWHELT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.62
Rot. Bonds1

About 2-methoxy-1,3,4-trimethylbenzene

2-methoxy-1,3,4-trimethylbenzene (PubChem CID 591604) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methoxy-1,3,4-trimethylbenzene.

Molecular Properties

Compound Name2-methoxy-1,3,4-trimethylbenzene
PubChem CID591604
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methoxy-1,3,4-trimethylbenzene
SMILESCOc1c(C)ccc(C)c1C
InChIInChI=1S/C10H14O/c1-7-5-6-8(2)10(11-4)9(7)3/h5-6H,1-4H3
InChIKeyMIOQAXCZXWHELT-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3,4-trimethylbenzene?
The IUPAC name of 2-methoxy-1,3,4-trimethylbenzene (CID 591604) is 2-methoxy-1,3,4-trimethylbenzene.
What is the SMILES notation for 2-methoxy-1,3,4-trimethylbenzene?
The canonical SMILES for 2-methoxy-1,3,4-trimethylbenzene is COc1c(C)ccc(C)c1C.
What is the InChIKey of 2-methoxy-1,3,4-trimethylbenzene?
The InChIKey is MIOQAXCZXWHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-5-6-8(2)10(11-4)9(7)3/h5-6H,1-4H3.
What are the key properties of 2-methoxy-1,3,4-trimethylbenzene?
2-methoxy-1,3,4-trimethylbenzene has a molecular weight of 150.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3,4-trimethylbenzene is sourced from PubChem (CID 591604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).