2-(3-amino-4-bromophenyl)phenol

C12H10BrNO — CID 115049178

IUPAC2-(3-amino-4-bromophenyl)phenol
SMILESNc1cc(-c2ccccc2O)ccc1Br
InChIInChI=1S/C12H10BrNO/c13-10-6-5-8(7-11(10)14)9-3-1-2-4-12(9)15/h1-7,15H,14H2
InChIKeyBHFLCPCTFAZMIC-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.40
Rot. Bonds1

About 2-(3-amino-4-bromophenyl)phenol

2-(3-amino-4-bromophenyl)phenol (PubChem CID 115049178) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(3-amino-4-bromophenyl)phenol.

Molecular Properties

Compound Name2-(3-amino-4-bromophenyl)phenol
PubChem CID115049178
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name2-(3-amino-4-bromophenyl)phenol
SMILESNc1cc(-c2ccccc2O)ccc1Br
InChIInChI=1S/C12H10BrNO/c13-10-6-5-8(7-11(10)14)9-3-1-2-4-12(9)15/h1-7,15H,14H2
InChIKeyBHFLCPCTFAZMIC-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-amino-4-bromophenyl)phenol 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

5-(2-aminophenyl)-2-bromoaniline
CID 102241446
2-[3-(aminomethyl)-4-bromophenyl]phenol
CID 115051252
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-bromo-5-(2-chlorophenyl)phenol
CID 171383319
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
4-(2-bromophenyl)-2-methylaniline
CID 115503558
azulene-1,5-diol
CID 71327638
6-(2-hydroxyphenyl)naphthalen-2-ol
CID 11368353
2-[3-(4-methylphenyl)phenyl]phenol
CID 123237634
5-amino-2-(2-bromophenyl)phenol
CID 22023432
4-(2-phenylphenyl)benzene-1,2-diamine
CID 122667618

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromophenyl)phenol?
The IUPAC name of 2-(3-amino-4-bromophenyl)phenol (CID 115049178) is 2-(3-amino-4-bromophenyl)phenol.
What is the SMILES notation for 2-(3-amino-4-bromophenyl)phenol?
The canonical SMILES for 2-(3-amino-4-bromophenyl)phenol is Nc1cc(-c2ccccc2O)ccc1Br.
What is the InChIKey of 2-(3-amino-4-bromophenyl)phenol?
The InChIKey is BHFLCPCTFAZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-10-6-5-8(7-11(10)14)9-3-1-2-4-12(9)15/h1-7,15H,14H2.
What are the key properties of 2-(3-amino-4-bromophenyl)phenol?
2-(3-amino-4-bromophenyl)phenol has a molecular weight of 264.12 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromophenyl)phenol is sourced from PubChem (CID 115049178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).