ethoxymethylbenzene

C9H12O — CID 10873

IUPACethoxymethylbenzene
SMILESCCOCc1ccccc1
InChIInChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyAXPZDYVDTMMLNB-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.22
Rot. Bonds3

About ethoxymethylbenzene

ethoxymethylbenzene (PubChem CID 10873) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is ethoxymethylbenzene.

Molecular Properties

Compound Nameethoxymethylbenzene
PubChem CID10873
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Nameethoxymethylbenzene
SMILESCCOCc1ccccc1
InChIInChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyAXPZDYVDTMMLNB-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethoxymethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxymethylbenzene?
The IUPAC name of ethoxymethylbenzene (CID 10873) is ethoxymethylbenzene.
What is the SMILES notation for ethoxymethylbenzene?
The canonical SMILES for ethoxymethylbenzene is CCOCc1ccccc1.
What is the InChIKey of ethoxymethylbenzene?
The InChIKey is AXPZDYVDTMMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethoxymethylbenzene?
ethoxymethylbenzene has a molecular weight of 136.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylbenzene is sourced from PubChem (CID 10873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).