5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol

C19H17NO3 — CID 21321442

IUPAC5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol
SMILESOc1cc(NCc2ccc(-c3ccccc3)cc2)cc(O)c1O
InChIInChI=1S/C19H17NO3/c21-17-10-16(11-18(22)19(17)23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,20-23H,12H2
InChIKeyZBFYQSQQXBFIOI-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.08
Rot. Bonds4

About 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol

5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol (PubChem CID 21321442) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol.

Molecular Properties

Compound Name5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol
PubChem CID21321442
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol
SMILESOc1cc(NCc2ccc(-c3ccccc3)cc2)cc(O)c1O
InChIInChI=1S/C19H17NO3/c21-17-10-16(11-18(22)19(17)23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,20-23H,12H2
InChIKeyZBFYQSQQXBFIOI-UHFFFAOYSA-N
XLogP4.08
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(4-phenylphenyl)methyl]aniline
CID 10658964
5-(benzylamino)-2-chlorophenol
CID 68679266
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
CID 115134703
methyl 4-[4-(anilinomethyl)phenyl]benzoate
CID 134537510
4-(benzylamino)phenol;hydrochloride
CID 16738613
N-benzyl-3,5-dibromoaniline
CID 10640949
CID 163931246
CID 163931246
(4-phenylphenyl)methylhydrazine;hydrochloride
CID 71432751
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
CID 6482257
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol?
The IUPAC name of 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol (CID 21321442) is 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol.
What is the SMILES notation for 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol?
The canonical SMILES for 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol is Oc1cc(NCc2ccc(-c3ccccc3)cc2)cc(O)c1O.
What is the InChIKey of 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol?
The InChIKey is ZBFYQSQQXBFIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17-10-16(11-18(22)19(17)23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,20-23H,12H2.
What are the key properties of 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol?
5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol has a molecular weight of 307.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol is sourced from PubChem (CID 21321442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).