2-methoxyethylbenzene

C9H12O — CID 19089

IUPAC2-methoxyethylbenzene
SMILESCOCCc1ccccc1
InChIInChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCQLYXIUHVFRXLT-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.88
Rot. Bonds3

About 2-methoxyethylbenzene

2-methoxyethylbenzene (PubChem CID 19089) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-methoxyethylbenzene.

Molecular Properties

Compound Name2-methoxyethylbenzene
PubChem CID19089
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-methoxyethylbenzene
SMILESCOCCc1ccccc1
InChIInChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCQLYXIUHVFRXLT-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methoxyethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-methoxyethylbenzene;phenylmethanone
CID 54375098
7-methoxyheptylbenzene
CID 54276867
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
CID 6365989
CID 6365989
CID 58731637
CID 58731637
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
trimethyl(2-phenylethylperoxy)silane
CID 57150675
2-phenylethyl 4-methoxybutanoate
CID 78885647
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylbenzene?
The IUPAC name of 2-methoxyethylbenzene (CID 19089) is 2-methoxyethylbenzene.
What is the SMILES notation for 2-methoxyethylbenzene?
The canonical SMILES for 2-methoxyethylbenzene is COCCc1ccccc1.
What is the InChIKey of 2-methoxyethylbenzene?
The InChIKey is CQLYXIUHVFRXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-methoxyethylbenzene?
2-methoxyethylbenzene has a molecular weight of 136.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylbenzene is sourced from PubChem (CID 19089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).