1-(1-methoxyethyl)-3-(methoxymethyl)benzene

C11H16O2 — CID 19879643

IUPAC1-(1-methoxyethyl)-3-(methoxymethyl)benzene
SMILESCOCc1cccc(C(C)OC)c1
InChIInChI=1S/C11H16O2/c1-9(13-3)11-6-4-5-10(7-11)8-12-2/h4-7,9H,8H2,1-3H3
InChIKeySKOSZDIYGBKCFT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.54
Rot. Bonds4

About 1-(1-methoxyethyl)-3-(methoxymethyl)benzene

1-(1-methoxyethyl)-3-(methoxymethyl)benzene (PubChem CID 19879643) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(1-methoxyethyl)-3-(methoxymethyl)benzene
PubChem CID19879643
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(1-methoxyethyl)-3-(methoxymethyl)benzene
SMILESCOCc1cccc(C(C)OC)c1
InChIInChI=1S/C11H16O2/c1-9(13-3)11-6-4-5-10(7-11)8-12-2/h4-7,9H,8H2,1-3H3
InChIKeySKOSZDIYGBKCFT-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-bromoethyl)-3-(methoxymethyl)benzene
CID 174626315
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
CID 80605254
[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
CID 117117226
4-[3-(1-methoxyethyl)phenyl]butanoic acid
CID 117108370
(R)-cyclopropyl-[3-(methoxymethyl)phenyl]methanamine
CID 129411474
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
1-(methylperoxymethyl)-3-propan-2-ylbenzene
CID 21360564
3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
CID 82928186
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile
CID 66070895
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-3-(methoxymethyl)benzene?
The IUPAC name of 1-(1-methoxyethyl)-3-(methoxymethyl)benzene (CID 19879643) is 1-(1-methoxyethyl)-3-(methoxymethyl)benzene.
What is the SMILES notation for 1-(1-methoxyethyl)-3-(methoxymethyl)benzene?
The canonical SMILES for 1-(1-methoxyethyl)-3-(methoxymethyl)benzene is COCc1cccc(C(C)OC)c1.
What is the InChIKey of 1-(1-methoxyethyl)-3-(methoxymethyl)benzene?
The InChIKey is SKOSZDIYGBKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(13-3)11-6-4-5-10(7-11)8-12-2/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(1-methoxyethyl)-3-(methoxymethyl)benzene?
1-(1-methoxyethyl)-3-(methoxymethyl)benzene has a molecular weight of 180.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-3-(methoxymethyl)benzene is sourced from PubChem (CID 19879643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).