4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol

C19H17NO2 — CID 2925064

IUPAC4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol
SMILESNc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H17NO2/c20-18-4-2-1-3-17(18)19(13-5-9-15(21)10-6-13)14-7-11-16(22)12-8-14/h1-12,19,21-22H,20H2
InChIKeyHXUATDOIRQCODY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.86
Rot. Bonds3

About 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol

4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol (PubChem CID 2925064) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol
PubChem CID2925064
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol
SMILESNc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H17NO2/c20-18-4-2-1-3-17(18)19(13-5-9-15(21)10-6-13)14-7-11-16(22)12-8-14/h1-12,19,21-22H,20H2
InChIKeyHXUATDOIRQCODY-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol (CID 2925064) is 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol is Nc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is HXUATDOIRQCODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c20-18-4-2-1-3-17(18)19(13-5-9-15(21)10-6-13)14-7-11-16(22)12-8-14/h1-12,19,21-22H,20H2.
What are the key properties of 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol?
4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 291.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 2925064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).