1-ethyl-3-(methoxymethyl)benzene

C10H14O — CID 54065687

IUPAC1-ethyl-3-(methoxymethyl)benzene
SMILESCCc1cccc(COC)c1
InChIInChI=1S/C10H14O/c1-3-9-5-4-6-10(7-9)8-11-2/h4-7H,3,8H2,1-2H3
InChIKeyMCTZQIKSMLDMOY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.40
Rot. Bonds3

About 1-ethyl-3-(methoxymethyl)benzene

1-ethyl-3-(methoxymethyl)benzene (PubChem CID 54065687) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-ethyl-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(methoxymethyl)benzene
PubChem CID54065687
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-ethyl-3-(methoxymethyl)benzene
SMILESCCc1cccc(COC)c1
InChIInChI=1S/C10H14O/c1-3-9-5-4-6-10(7-9)8-11-2/h4-7H,3,8H2,1-2H3
InChIKeyMCTZQIKSMLDMOY-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(methoxymethyl)phenyl]methanamine
CID 16787292
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
1-but-2-enyl-3-(methoxymethyl)benzene
CID 175299095
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
3-(methoxymethyl)-N-methylaniline
CID 23080905
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076
ethane;methoxymethylbenzene;propane
CID 144561349
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methoxymethyl)benzene?
The IUPAC name of 1-ethyl-3-(methoxymethyl)benzene (CID 54065687) is 1-ethyl-3-(methoxymethyl)benzene.
What is the SMILES notation for 1-ethyl-3-(methoxymethyl)benzene?
The canonical SMILES for 1-ethyl-3-(methoxymethyl)benzene is CCc1cccc(COC)c1.
What is the InChIKey of 1-ethyl-3-(methoxymethyl)benzene?
The InChIKey is MCTZQIKSMLDMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-9-5-4-6-10(7-9)8-11-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-3-(methoxymethyl)benzene?
1-ethyl-3-(methoxymethyl)benzene has a molecular weight of 150.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methoxymethyl)benzene is sourced from PubChem (CID 54065687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).