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

C14H17BN2O2 — CID 169384701

IUPAC[2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid
SMILESCc1cc(CNNc2ccccc2)ccc1B(O)O
InChIInChI=1S/C14H17BN2O2/c1-11-9-12(7-8-14(11)15(18)19)10-16-17-13-5-3-2-4-6-13/h2-9,16-19H,10H2,1H3
InChIKeyAYONSQSRPLPGOA-UHFFFAOYSA-N
MW256.11 g/mol
LogP0.79
Rot. Bonds5

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

[2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid (PubChem CID 169384701) has the molecular formula C14H17BN2O2 and a molecular weight of 256.11 g/mol. Its IUPAC name is [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid
PubChem CID169384701
Molecular FormulaC14H17BN2O2
Molecular Weight256.11 g/mol
Exact Mass256.14
IUPAC Name[2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid
SMILESCc1cc(CNNc2ccccc2)ccc1B(O)O
InChIInChI=1S/C14H17BN2O2/c1-11-9-12(7-8-14(11)15(18)19)10-16-17-13-5-3-2-4-6-13/h2-9,16-19H,10H2,1H3
InChIKeyAYONSQSRPLPGOA-UHFFFAOYSA-N
XLogP0.79
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 50.79
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

1-[(3-methyl-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384784
[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid
CID 169387220
1-[[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169387097
1-[[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169385923
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
[5-methyl-3-[(2-phenylhydrazinyl)methyl]-2-propan-2-yloxyphenyl]boronic acid
CID 169385533
1-[(2,4-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384445
3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol
CID 169385182
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
CID 169387081
[3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol
CID 169385400
N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline
CID 169385725
2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385241

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid?
The IUPAC name of [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid (CID 169384701) is [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid.
What is the SMILES notation for [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid?
The canonical SMILES for [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid is Cc1cc(CNNc2ccccc2)ccc1B(O)O.
What is the InChIKey of [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid?
The InChIKey is AYONSQSRPLPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BN2O2/c1-11-9-12(7-8-14(11)15(18)19)10-16-17-13-5-3-2-4-6-13/h2-9,16-19H,10H2,1H3.
What are the key properties of [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid?
[2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid has a molecular weight of 256.11 g/mol, XLogP of 0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid is sourced from PubChem (CID 169384701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).