3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene

C17H19BrO3 — CID 175245335

IUPAC3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene
SMILESCOCCc1c(OCOC)ccc(-c2ccccc2)c1Br
InChIInChI=1S/C17H19BrO3/c1-19-11-10-15-16(21-12-20-2)9-8-14(17(15)18)13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3
InChIKeyXGHQOPLJVAMKMZ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.29
Rot. Bonds7

About 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene

3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene (PubChem CID 175245335) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene.

Molecular Properties

Compound Name3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene
PubChem CID175245335
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene
SMILESCOCCc1c(OCOC)ccc(-c2ccccc2)c1Br
InChIInChI=1S/C17H19BrO3/c1-19-11-10-15-16(21-12-20-2)9-8-14(17(15)18)13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3
InChIKeyXGHQOPLJVAMKMZ-UHFFFAOYSA-N
XLogP4.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene 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 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene?
The IUPAC name of 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene (CID 175245335) is 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene.
What is the SMILES notation for 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene?
The canonical SMILES for 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene is COCCc1c(OCOC)ccc(-c2ccccc2)c1Br.
What is the InChIKey of 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene?
The InChIKey is XGHQOPLJVAMKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-19-11-10-15-16(21-12-20-2)9-8-14(17(15)18)13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3.
What are the key properties of 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene?
3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene has a molecular weight of 351.24 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene is sourced from PubChem (CID 175245335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).