1-methoxyethylbenzene

C9H12O — CID 19913

IUPAC1-methoxyethylbenzene
SMILESCOC(C)c1ccccc1
InChIInChI=1S/C9H12O/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyPLKSMSKTENNPEJ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.39
Rot. Bonds2

About 1-methoxyethylbenzene

1-methoxyethylbenzene (PubChem CID 19913) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-methoxyethylbenzene.

Molecular Properties

Compound Name1-methoxyethylbenzene
PubChem CID19913
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-methoxyethylbenzene
SMILESCOC(C)c1ccccc1
InChIInChI=1S/C9H12O/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyPLKSMSKTENNPEJ-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethylbenzene?
The IUPAC name of 1-methoxyethylbenzene (CID 19913) is 1-methoxyethylbenzene.
What is the SMILES notation for 1-methoxyethylbenzene?
The canonical SMILES for 1-methoxyethylbenzene is COC(C)c1ccccc1.
What is the InChIKey of 1-methoxyethylbenzene?
The InChIKey is PLKSMSKTENNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 1-methoxyethylbenzene?
1-methoxyethylbenzene has a molecular weight of 136.19 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethylbenzene is sourced from PubChem (CID 19913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).