2-bromo-4-chloro-1-phenylnaphthalene

C16H10BrCl — CID 167008767

IUPAC2-bromo-4-chloro-1-phenylnaphthalene
SMILESClc1cc(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H10BrCl/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10H
InChIKeyWSTJPFXNFSBGGR-UHFFFAOYSA-N
MW317.61 g/mol
LogP5.92
Rot. Bonds1

About 2-bromo-4-chloro-1-phenylnaphthalene

2-bromo-4-chloro-1-phenylnaphthalene (PubChem CID 167008767) has the molecular formula C16H10BrCl and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-phenylnaphthalene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-phenylnaphthalene
PubChem CID167008767
Molecular FormulaC16H10BrCl
Molecular Weight317.61 g/mol
Exact Mass315.97
IUPAC Name2-bromo-4-chloro-1-phenylnaphthalene
SMILESClc1cc(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H10BrCl/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10H
InChIKeyWSTJPFXNFSBGGR-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.61
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-phenylnaphthalene?
The IUPAC name of 2-bromo-4-chloro-1-phenylnaphthalene (CID 167008767) is 2-bromo-4-chloro-1-phenylnaphthalene.
What is the SMILES notation for 2-bromo-4-chloro-1-phenylnaphthalene?
The canonical SMILES for 2-bromo-4-chloro-1-phenylnaphthalene is Clc1cc(Br)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-bromo-4-chloro-1-phenylnaphthalene?
The InChIKey is WSTJPFXNFSBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-bromo-4-chloro-1-phenylnaphthalene?
2-bromo-4-chloro-1-phenylnaphthalene has a molecular weight of 317.61 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-phenylnaphthalene is sourced from PubChem (CID 167008767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).