(3-bromo-5-phenylphenyl)boronic acid

C12H10BBrO2 — CID 127256083

IUPAC(3-bromo-5-phenylphenyl)boronic acid
SMILESOB(O)c1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C12H10BBrO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8,15-16H
InChIKeyLUJLLIDAMALCJP-UHFFFAOYSA-N
MW276.93 g/mol
LogP1.80
Rot. Bonds2

About (3-bromo-5-phenylphenyl)boronic acid

(3-bromo-5-phenylphenyl)boronic acid (PubChem CID 127256083) has the molecular formula C12H10BBrO2 and a molecular weight of 276.93 g/mol. Its IUPAC name is (3-bromo-5-phenylphenyl)boronic acid.

Molecular Properties

Compound Name(3-bromo-5-phenylphenyl)boronic acid
PubChem CID127256083
Molecular FormulaC12H10BBrO2
Molecular Weight276.93 g/mol
Exact Mass276.00
IUPAC Name(3-bromo-5-phenylphenyl)boronic acid
SMILESOB(O)c1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C12H10BBrO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8,15-16H
InChIKeyLUJLLIDAMALCJP-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.93
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-methyl-5-phenylbenzene;1,3-dibromo-5-methylbenzene;phenylboronic acid
CID 159242843
1,3-dibromo-5-phenylbenzene
CID 3014933
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
3-bicyclo[3.1.0]hexa-1(6),2,4-trienylboronic acid
CID 123375323
ethane;[3-(3-phenylphenyl)phenyl]boronic acid
CID 143904580
(7-phenylnaphthalen-2-yl)boronic acid
CID 58461088
6-[3,5-bis(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;methane;(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)boronic acid;1,3,5-tribromobenzene
CID 161452379
6-[3,5-bis(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)boronic acid;1,3,5-tribromobenzene
CID 160506198
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
1-bromo-3-phenylbenzene
CID 16449
2,8-bis(3-phenylphenyl)dibenzothiophene;2,8-dibromodibenzothiophene;(3-phenylphenyl)boronic acid
CID 160866408

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-phenylphenyl)boronic acid?
The IUPAC name of (3-bromo-5-phenylphenyl)boronic acid (CID 127256083) is (3-bromo-5-phenylphenyl)boronic acid.
What is the SMILES notation for (3-bromo-5-phenylphenyl)boronic acid?
The canonical SMILES for (3-bromo-5-phenylphenyl)boronic acid is OB(O)c1cc(Br)cc(-c2ccccc2)c1.
What is the InChIKey of (3-bromo-5-phenylphenyl)boronic acid?
The InChIKey is LUJLLIDAMALCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BBrO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8,15-16H.
What are the key properties of (3-bromo-5-phenylphenyl)boronic acid?
(3-bromo-5-phenylphenyl)boronic acid has a molecular weight of 276.93 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-phenylphenyl)boronic acid is sourced from PubChem (CID 127256083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).