2-bromo-4-phenylphenolate

C12H8BrO- — CID 155760391

IUPAC2-bromo-4-phenylphenolate
SMILES[O-]c1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H9BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H/p-1
InChIKeyDZGMMVYPLBTLRQ-UHFFFAOYSA-M
MW248.10 g/mol
LogP3.19
Rot. Bonds1

About 2-bromo-4-phenylphenolate

2-bromo-4-phenylphenolate (PubChem CID 155760391) has the molecular formula C12H8BrO- and a molecular weight of 248.10 g/mol. Its IUPAC name is 2-bromo-4-phenylphenolate.

Molecular Properties

Compound Name2-bromo-4-phenylphenolate
PubChem CID155760391
Molecular FormulaC12H8BrO-
Molecular Weight248.10 g/mol
Exact Mass246.98
IUPAC Name2-bromo-4-phenylphenolate
SMILES[O-]c1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H9BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H/p-1
InChIKeyDZGMMVYPLBTLRQ-UHFFFAOYSA-M
XLogP3.19
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate
CID 23597058
2-bromo-1-chloro-4-(3-phenylphenyl)benzene
CID 178064983
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2,6-dibromo-4-phenylaniline
CID 10663925
2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-bromo-3-phenylbenzene
CID 16449

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenylphenolate?
The IUPAC name of 2-bromo-4-phenylphenolate (CID 155760391) is 2-bromo-4-phenylphenolate.
What is the SMILES notation for 2-bromo-4-phenylphenolate?
The canonical SMILES for 2-bromo-4-phenylphenolate is [O-]c1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-4-phenylphenolate?
The InChIKey is DZGMMVYPLBTLRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H/p-1.
What are the key properties of 2-bromo-4-phenylphenolate?
2-bromo-4-phenylphenolate has a molecular weight of 248.10 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenylphenolate is sourced from PubChem (CID 155760391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).