[2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid

C18H14BClO2 — CID 177272028

IUPAC[2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14BClO2/c20-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-18(17)19(21)22/h1-12,21-22H
InChIKeyRESPVAWORBOQLB-UHFFFAOYSA-N
MW308.57 g/mol
LogP3.35
Rot. Bonds3

About [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid

[2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid (PubChem CID 177272028) has the molecular formula C18H14BClO2 and a molecular weight of 308.57 g/mol. Its IUPAC name is [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid
PubChem CID177272028
Molecular FormulaC18H14BClO2
Molecular Weight308.57 g/mol
Exact Mass308.08
IUPAC Name[2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14BClO2/c20-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-18(17)19(21)22/h1-12,21-22H
InChIKeyRESPVAWORBOQLB-UHFFFAOYSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-phenylphenyl)phenyl]boronic acid
CID 23033858
[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
CID 142746924
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
[2-[3-(N-[3-(2-phenylphenyl)phenyl]anilino)phenyl]phenyl]boronic acid
CID 142725584
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
[2-[3-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]boronic acid
CID 144844359
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene
CID 54176640
(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine
CID 164677566
3-(3-chlorophenyl)phenol;ethane
CID 142088616
[2-(3,5,6-triphenylpyrazin-2-yl)phenyl]boronic acid
CID 154791888
2,4-bis(3-chlorophenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(3-chlorophenyl)-1,3,5-triazine;(3-phenylphenyl)boronic acid
CID 161053380

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid?
The IUPAC name of [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid (CID 177272028) is [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid.
What is the SMILES notation for [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid?
The canonical SMILES for [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid is OB(O)c1ccccc1-c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid?
The InChIKey is RESPVAWORBOQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BClO2/c20-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-18(17)19(21)22/h1-12,21-22H.
What are the key properties of [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid?
[2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid has a molecular weight of 308.57 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid is sourced from PubChem (CID 177272028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).