3-amino-2-phenylphenol;2-phenylphenol

C24H21NO2 — CID 67542566

IUPAC3-amino-2-phenylphenol;2-phenylphenol
SMILESNc1cccc(O)c1-c1ccccc1.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H11NO.C12H10O/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-8,14H,13H2;1-9,13H
InChIKeyRRUBPQNUZFVQPM-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.70
Rot. Bonds2

About 3-amino-2-phenylphenol;2-phenylphenol

3-amino-2-phenylphenol;2-phenylphenol (PubChem CID 67542566) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-amino-2-phenylphenol;2-phenylphenol.

Molecular Properties

Compound Name3-amino-2-phenylphenol;2-phenylphenol
PubChem CID67542566
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-amino-2-phenylphenol;2-phenylphenol
SMILESNc1cccc(O)c1-c1ccccc1.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H11NO.C12H10O/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-8,14H,13H2;1-9,13H
InChIKeyRRUBPQNUZFVQPM-UHFFFAOYSA-N
XLogP5.70
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 66853518
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CID 162319962
3-phenylbenzene-1,2-diamine
CID 18968019
2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
3-amino-2-(3-fluorophenyl)phenol
CID 22173848
1-amino-5-phenylanthracene-9,10-dione
CID 154123056
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenylphenol;2-phenylphenol?
The IUPAC name of 3-amino-2-phenylphenol;2-phenylphenol (CID 67542566) is 3-amino-2-phenylphenol;2-phenylphenol.
What is the SMILES notation for 3-amino-2-phenylphenol;2-phenylphenol?
The canonical SMILES for 3-amino-2-phenylphenol;2-phenylphenol is Nc1cccc(O)c1-c1ccccc1.Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-amino-2-phenylphenol;2-phenylphenol?
The InChIKey is RRUBPQNUZFVQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C12H10O/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-8,14H,13H2;1-9,13H.
What are the key properties of 3-amino-2-phenylphenol;2-phenylphenol?
3-amino-2-phenylphenol;2-phenylphenol has a molecular weight of 355.44 g/mol, XLogP of 5.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylphenol;2-phenylphenol is sourced from PubChem (CID 67542566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).