2-[(4-hydroxyphenyl)methylamino]phenol

C13H13NO2 — CID 2246060

IUPAC2-[(4-hydroxyphenyl)methylamino]phenol
SMILESOc1ccc(CNc2ccccc2O)cc1
InChIInChI=1S/C13H13NO2/c15-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)16/h1-8,14-16H,9H2
InChIKeyCUXRKYKPFBCCMM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.71
Rot. Bonds3

About 2-[(4-hydroxyphenyl)methylamino]phenol

2-[(4-hydroxyphenyl)methylamino]phenol (PubChem CID 2246060) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylamino]phenol
PubChem CID2246060
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-[(4-hydroxyphenyl)methylamino]phenol
SMILESOc1ccc(CNc2ccccc2O)cc1
InChIInChI=1S/C13H13NO2/c15-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)16/h1-8,14-16H,9H2
InChIKeyCUXRKYKPFBCCMM-UHFFFAOYSA-N
XLogP2.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylamino]phenol?
The IUPAC name of 2-[(4-hydroxyphenyl)methylamino]phenol (CID 2246060) is 2-[(4-hydroxyphenyl)methylamino]phenol.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylamino]phenol?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylamino]phenol is Oc1ccc(CNc2ccccc2O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylamino]phenol?
The InChIKey is CUXRKYKPFBCCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)16/h1-8,14-16H,9H2.
What are the key properties of 2-[(4-hydroxyphenyl)methylamino]phenol?
2-[(4-hydroxyphenyl)methylamino]phenol has a molecular weight of 215.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylamino]phenol is sourced from PubChem (CID 2246060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).