1-methoxy-3-(propoxymethyl)benzene

C11H16O2 — CID 11492041

IUPAC1-methoxy-3-(propoxymethyl)benzene
SMILESCCCOCc1cccc(OC)c1
InChIInChI=1S/C11H16O2/c1-3-7-13-9-10-5-4-6-11(8-10)12-2/h4-6,8H,3,7,9H2,1-2H3
InChIKeySWQRNWLUENXRGB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.62
Rot. Bonds5

About 1-methoxy-3-(propoxymethyl)benzene

1-methoxy-3-(propoxymethyl)benzene (PubChem CID 11492041) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-3-(propoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(propoxymethyl)benzene
PubChem CID11492041
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-3-(propoxymethyl)benzene
SMILESCCCOCc1cccc(OC)c1
InChIInChI=1S/C11H16O2/c1-3-7-13-9-10-5-4-6-11(8-10)12-2/h4-6,8H,3,7,9H2,1-2H3
InChIKeySWQRNWLUENXRGB-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methoxy-3-(propoxymethyl)benzene 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 1-methoxy-3-(propoxymethyl)benzene?
The IUPAC name of 1-methoxy-3-(propoxymethyl)benzene (CID 11492041) is 1-methoxy-3-(propoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-3-(propoxymethyl)benzene?
The canonical SMILES for 1-methoxy-3-(propoxymethyl)benzene is CCCOCc1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-(propoxymethyl)benzene?
The InChIKey is SWQRNWLUENXRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-7-13-9-10-5-4-6-11(8-10)12-2/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 1-methoxy-3-(propoxymethyl)benzene?
1-methoxy-3-(propoxymethyl)benzene has a molecular weight of 180.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(propoxymethyl)benzene is sourced from PubChem (CID 11492041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).