6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene

C17H17BrO — CID 70312033

IUPAC6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCc2cc(-c3cccc(Br)c3)ccc2C1
InChIInChI=1S/C17H17BrO/c1-19-17-8-7-14-9-13(5-6-15(14)11-17)12-3-2-4-16(18)10-12/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyQRNYBDBQHFKQOB-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.62
Rot. Bonds2

About 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene

6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 70312033) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID70312033
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCc2cc(-c3cccc(Br)c3)ccc2C1
InChIInChI=1S/C17H17BrO/c1-19-17-8-7-14-9-13(5-6-15(14)11-17)12-3-2-4-16(18)10-12/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyQRNYBDBQHFKQOB-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene 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 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene (CID 70312033) is 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene is COC1CCc2cc(-c3cccc(Br)c3)ccc2C1.
What is the InChIKey of 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is QRNYBDBQHFKQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-19-17-8-7-14-9-13(5-6-15(14)11-17)12-3-2-4-16(18)10-12/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene?
6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 317.23 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 70312033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).