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

C19H17NO2 — CID 23032542

IUPAC2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol
SMILESNc1ccc(C(c2ccccc2O)c2ccccc2O)cc1
InChIInChI=1S/C19H17NO2/c20-14-11-9-13(10-12-14)19(15-5-1-3-7-17(15)21)16-6-2-4-8-18(16)22/h1-12,19,21-22H,20H2
InChIKeyJWKGZMFHBVGUBM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.86
Rot. Bonds3

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

2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol (PubChem CID 23032542) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol
PubChem CID23032542
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol
SMILESNc1ccc(C(c2ccccc2O)c2ccccc2O)cc1
InChIInChI=1S/C19H17NO2/c20-14-11-9-13(10-12-14)19(15-5-1-3-7-17(15)21)16-6-2-4-8-18(16)22/h1-12,19,21-22H,20H2
InChIKeyJWKGZMFHBVGUBM-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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Related Compounds

2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
CID 67705842
4-[amino(naphthalen-1-yl)methyl]aniline
CID 116936837
4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
CID 123960089
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline
CID 70388801
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol (CID 23032542) is 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol is Nc1ccc(C(c2ccccc2O)c2ccccc2O)cc1.
What is the InChIKey of 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol?
The InChIKey is JWKGZMFHBVGUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c20-14-11-9-13(10-12-14)19(15-5-1-3-7-17(15)21)16-6-2-4-8-18(16)22/h1-12,19,21-22H,20H2.
What are the key properties of 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol?
2-[(4-aminophenyl)-(2-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 2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 23032542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).