1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene

C17H11BrClFO — CID 177131106

IUPAC1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene
SMILESCOc1ccc2c(Cl)cccc2c1-c1cccc(Br)c1F
InChIInChI=1S/C17H11BrClFO/c1-21-15-9-8-10-11(4-3-7-14(10)19)16(15)12-5-2-6-13(18)17(12)20/h2-9H,1H3
InChIKeyPSKNOWLWJJGWHH-UHFFFAOYSA-N
MW365.63 g/mol
LogP6.07
Rot. Bonds2

About 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene

1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene (PubChem CID 177131106) has the molecular formula C17H11BrClFO and a molecular weight of 365.63 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene
PubChem CID177131106
Molecular FormulaC17H11BrClFO
Molecular Weight365.63 g/mol
Exact Mass363.97
IUPAC Name1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene
SMILESCOc1ccc2c(Cl)cccc2c1-c1cccc(Br)c1F
InChIInChI=1S/C17H11BrClFO/c1-21-15-9-8-10-11(4-3-7-14(10)19)16(15)12-5-2-6-13(18)17(12)20/h2-9H,1H3
InChIKeyPSKNOWLWJJGWHH-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.63
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene 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-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene (CID 177131106) is 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene is COc1ccc2c(Cl)cccc2c1-c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene?
The InChIKey is PSKNOWLWJJGWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClFO/c1-21-15-9-8-10-11(4-3-7-14(10)19)16(15)12-5-2-6-13(18)17(12)20/h2-9H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene?
1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene has a molecular weight of 365.63 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-5-chloro-2-methoxynaphthalene is sourced from PubChem (CID 177131106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).