1-ethoxy-3-methoxy-2,5-dimethylbenzene

C11H16O2 — CID 59933516

IUPAC1-ethoxy-3-methoxy-2,5-dimethylbenzene
SMILESCCOc1cc(C)cc(OC)c1C
InChIInChI=1S/C11H16O2/c1-5-13-11-7-8(2)6-10(12-4)9(11)3/h6-7H,5H2,1-4H3
InChIKeySPLKPJKONCQMOG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.71
Rot. Bonds3

About 1-ethoxy-3-methoxy-2,5-dimethylbenzene

1-ethoxy-3-methoxy-2,5-dimethylbenzene (PubChem CID 59933516) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethoxy-3-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-ethoxy-3-methoxy-2,5-dimethylbenzene
PubChem CID59933516
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-ethoxy-3-methoxy-2,5-dimethylbenzene
SMILESCCOc1cc(C)cc(OC)c1C
InChIInChI=1S/C11H16O2/c1-5-13-11-7-8(2)6-10(12-4)9(11)3/h6-7H,5H2,1-4H3
InChIKeySPLKPJKONCQMOG-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane
CID 59566922
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
CID 90121057
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
2-ethoxy-6-iodo-4-methylphenol
CID 131395873
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
N-ethoxy-3,5-dimethoxy-4-methylbenzamide
CID 52555843

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-ethoxy-3-methoxy-2,5-dimethylbenzene (CID 59933516) is 1-ethoxy-3-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-ethoxy-3-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-ethoxy-3-methoxy-2,5-dimethylbenzene is CCOc1cc(C)cc(OC)c1C.
What is the InChIKey of 1-ethoxy-3-methoxy-2,5-dimethylbenzene?
The InChIKey is SPLKPJKONCQMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-13-11-7-8(2)6-10(12-4)9(11)3/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethoxy-3-methoxy-2,5-dimethylbenzene?
1-ethoxy-3-methoxy-2,5-dimethylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 59933516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).