[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid

C19H19BN2O2 — CID 169387220

IUPAC[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cccc(CNNc3ccccc3)c2)cc1
InChIInChI=1S/C19H19BN2O2/c23-20(24)18-11-9-16(10-12-18)17-6-4-5-15(13-17)14-21-22-19-7-2-1-3-8-19/h1-13,21-24H,14H2
InChIKeyYSUJUTLSIBFRBE-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.15
Rot. Bonds6

About [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid

[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid (PubChem CID 169387220) has the molecular formula C19H19BN2O2 and a molecular weight of 318.19 g/mol. Its IUPAC name is [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid
PubChem CID169387220
Molecular FormulaC19H19BN2O2
Molecular Weight318.19 g/mol
Exact Mass318.15
IUPAC Name[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cccc(CNNc3ccccc3)c2)cc1
InChIInChI=1S/C19H19BN2O2/c23-20(24)18-11-9-16(10-12-18)17-6-4-5-15(13-17)14-21-22-19-7-2-1-3-8-19/h1-13,21-24H,14H2
InChIKeyYSUJUTLSIBFRBE-UHFFFAOYSA-N
XLogP2.15
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol
CID 169385400
3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol
CID 169385182
1-phenyl-2-[[3-(1H-pyrazol-4-yl)phenyl]methyl]hydrazine
CID 169386903
1-[[4-(3,4-dichlorophenyl)phenyl]methyl]-2-phenylhydrazine
CID 169386868
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]boronic acid
CID 171410445
[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid
CID 127028475
1-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-phenylhydrazine
CID 169385350
(7-phenylnaphthalen-2-yl)boronic acid
CID 58461088
4-(4-fluorophenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387199
N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine
CID 169384689

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid?
The IUPAC name of [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid (CID 169387220) is [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid.
What is the SMILES notation for [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid?
The canonical SMILES for [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid is OB(O)c1ccc(-c2cccc(CNNc3ccccc3)c2)cc1.
What is the InChIKey of [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid?
The InChIKey is YSUJUTLSIBFRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BN2O2/c23-20(24)18-11-9-16(10-12-18)17-6-4-5-15(13-17)14-21-22-19-7-2-1-3-8-19/h1-13,21-24H,14H2.
What are the key properties of [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid?
[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid has a molecular weight of 318.19 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid is sourced from PubChem (CID 169387220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).