6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one

C17H15BrO2 — CID 61834439

IUPAC6-[(3-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESC1CC2=C(C=CC(=C2)OCC3=CC(=CC=C3)Br)C(=O)C1
InChIInChI=1S/C17H15BrO2/c18-14-5-1-3-12(9-14)11-20-15-7-8-16-13(10-15)4-2-6-17(16)19/h1,3,5,7-10H,2,4,6,11H2
InChIKeyXEWIJBLUIQWBRA-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.20
Rot. Bonds3

About 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one

6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one (PubChem CID 61834439) has the molecular formula C17H15BrO2 and a molecular weight of 331.20 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one
PubChem CID61834439
Molecular FormulaC17H15BrO2
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name6-[(3-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESC1CC2=C(C=CC(=C2)OCC3=CC(=CC=C3)Br)C(=O)C1
InChIInChI=1S/C17H15BrO2/c18-14-5-1-3-12(9-14)11-20-15-7-8-16-13(10-15)4-2-6-17(16)19/h1,3,5,7-10H,2,4,6,11H2
InChIKeyXEWIJBLUIQWBRA-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity344

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one?
The IUPAC name of 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one (CID 61834439) is 6-[(3-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one?
The canonical SMILES for 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one is C1CC2=C(C=CC(=C2)OCC3=CC(=CC=C3)Br)C(=O)C1.
What is the InChIKey of 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one?
The InChIKey is XEWIJBLUIQWBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c18-14-5-1-3-12(9-14)11-20-15-7-8-16-13(10-15)4-2-6-17(16)19/h1,3,5,7-10H,2,4,6,11H2.
What are the key properties of 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one?
6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one has a molecular weight of 331.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one is sourced from PubChem (CID 61834439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).