2-aminophenol;diphenylborinic acid

C18H18BNO2 — CID 68945531

IUPAC2-aminophenol;diphenylborinic acid
SMILESNc1ccccc1O.OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11BO.C6H7NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10,14H;1-4,8H,7H2
InChIKeyHRRSQSKHBBTAFB-UHFFFAOYSA-N
MW291.16 g/mol
LogP1.76
Rot. Bonds2

About 2-aminophenol;diphenylborinic acid

2-aminophenol;diphenylborinic acid (PubChem CID 68945531) has the molecular formula C18H18BNO2 and a molecular weight of 291.16 g/mol. Its IUPAC name is 2-aminophenol;diphenylborinic acid.

Molecular Properties

Compound Name2-aminophenol;diphenylborinic acid
PubChem CID68945531
Molecular FormulaC18H18BNO2
Molecular Weight291.16 g/mol
Exact Mass291.14
IUPAC Name2-aminophenol;diphenylborinic acid
SMILESNc1ccccc1O.OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11BO.C6H7NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10,14H;1-4,8H,7H2
InChIKeyHRRSQSKHBBTAFB-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminophenol;diphenylborinic 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

sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
2-aminophenol;ethane;methane
CID 158189798
CID 175422466
CID 175422466
diphenylborinic acid;ethane;phenylboronic acid
CID 158022029
(4-methylphenyl)-phenylborinic acid
CID 143940886
2-aminobenzoic acid;2-aminophenol
CID 23062986
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
[5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid
CID 16745077
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;diphenylborinic acid?
The IUPAC name of 2-aminophenol;diphenylborinic acid (CID 68945531) is 2-aminophenol;diphenylborinic acid.
What is the SMILES notation for 2-aminophenol;diphenylborinic acid?
The canonical SMILES for 2-aminophenol;diphenylborinic acid is Nc1ccccc1O.OB(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-aminophenol;diphenylborinic acid?
The InChIKey is HRRSQSKHBBTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO.C6H7NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10,14H;1-4,8H,7H2.
What are the key properties of 2-aminophenol;diphenylborinic acid?
2-aminophenol;diphenylborinic acid has a molecular weight of 291.16 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;diphenylborinic acid is sourced from PubChem (CID 68945531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).