4-(3,4-diaminophenyl)phenol

C12H12N2O — CID 19907643

IUPAC4-(3,4-diaminophenyl)phenol
SMILESNc1ccc(-c2ccc(O)cc2)cc1N
InChIInChI=1S/C12H12N2O/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7,15H,13-14H2
InChIKeyVOWBBUTVSZXTPR-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.22
Rot. Bonds1

About 4-(3,4-diaminophenyl)phenol

4-(3,4-diaminophenyl)phenol (PubChem CID 19907643) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(3,4-diaminophenyl)phenol.

Molecular Properties

Compound Name4-(3,4-diaminophenyl)phenol
PubChem CID19907643
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(3,4-diaminophenyl)phenol
SMILESNc1ccc(-c2ccc(O)cc2)cc1N
InChIInChI=1S/C12H12N2O/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7,15H,13-14H2
InChIKeyVOWBBUTVSZXTPR-UHFFFAOYSA-N
XLogP2.22
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diaminophenyl)phenol?
The IUPAC name of 4-(3,4-diaminophenyl)phenol (CID 19907643) is 4-(3,4-diaminophenyl)phenol.
What is the SMILES notation for 4-(3,4-diaminophenyl)phenol?
The canonical SMILES for 4-(3,4-diaminophenyl)phenol is Nc1ccc(-c2ccc(O)cc2)cc1N.
What is the InChIKey of 4-(3,4-diaminophenyl)phenol?
The InChIKey is VOWBBUTVSZXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7,15H,13-14H2.
What are the key properties of 4-(3,4-diaminophenyl)phenol?
4-(3,4-diaminophenyl)phenol has a molecular weight of 200.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diaminophenyl)phenol is sourced from PubChem (CID 19907643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).