1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene

C24H17BrF2O2 — CID 130227013

IUPAC1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene
SMILESCOc1c(OC)c(-c2cc(Br)ccc2F)c2ccccc2c1-c1ccccc1F
InChIInChI=1S/C24H17BrF2O2/c1-28-23-21(17-9-5-6-10-19(17)26)15-7-3-4-8-16(15)22(24(23)29-2)18-13-14(25)11-12-20(18)27/h3-13H,1-2H3
InChIKeyHLZPBPLRIZFHHL-UHFFFAOYSA-N
MW455.30 g/mol
LogP7.23
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene

1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene (PubChem CID 130227013) has the molecular formula C24H17BrF2O2 and a molecular weight of 455.30 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene
PubChem CID130227013
Molecular FormulaC24H17BrF2O2
Molecular Weight455.30 g/mol
Exact Mass454.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene
SMILESCOc1c(OC)c(-c2cc(Br)ccc2F)c2ccccc2c1-c1ccccc1F
InChIInChI=1S/C24H17BrF2O2/c1-28-23-21(17-9-5-6-10-19(17)26)15-7-3-4-8-16(15)22(24(23)29-2)18-13-14(25)11-12-20(18)27/h3-13H,1-2H3
InChIKeyHLZPBPLRIZFHHL-UHFFFAOYSA-N
XLogP7.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene (CID 130227013) is 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene is COc1c(OC)c(-c2cc(Br)ccc2F)c2ccccc2c1-c1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene?
The InChIKey is HLZPBPLRIZFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrF2O2/c1-28-23-21(17-9-5-6-10-19(17)26)15-7-3-4-8-16(15)22(24(23)29-2)18-13-14(25)11-12-20(18)27/h3-13H,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene?
1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene has a molecular weight of 455.30 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene is sourced from PubChem (CID 130227013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).