1-methoxy-3-(2-methoxyethyl)-5-methylbenzene

C11H16O2 — CID 91216321

IUPAC1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
SMILESCOCCc1cc(C)cc(OC)c1
InChIInChI=1S/C11H16O2/c1-9-6-10(4-5-12-2)8-11(7-9)13-3/h6-8H,4-5H2,1-3H3
InChIKeyWRXPVNUIEZZAOG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.19
Rot. Bonds4

About 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene

1-methoxy-3-(2-methoxyethyl)-5-methylbenzene (PubChem CID 91216321) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
PubChem CID91216321
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
SMILESCOCCc1cc(C)cc(OC)c1
InChIInChI=1S/C11H16O2/c1-9-6-10(4-5-12-2)8-11(7-9)13-3/h6-8H,4-5H2,1-3H3
InChIKeyWRXPVNUIEZZAOG-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene?
The IUPAC name of 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene (CID 91216321) is 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene.
What is the SMILES notation for 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene?
The canonical SMILES for 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene is COCCc1cc(C)cc(OC)c1.
What is the InChIKey of 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene?
The InChIKey is WRXPVNUIEZZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-6-10(4-5-12-2)8-11(7-9)13-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene?
1-methoxy-3-(2-methoxyethyl)-5-methylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxyethyl)-5-methylbenzene is sourced from PubChem (CID 91216321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).