4-[diazo-(4-hydroxyphenyl)methyl]phenol

C13H10N2O2 — CID 21162866

IUPAC4-[diazo-(4-hydroxyphenyl)methyl]phenol
SMILES[N-]=[N+]=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C13H10N2O2/c14-15-13(9-1-5-11(16)6-2-9)10-3-7-12(17)8-4-10/h1-8,16-17H
InChIKeyCXBOHAIIWOHQAU-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.16
Rot. Bonds2

About 4-[diazo-(4-hydroxyphenyl)methyl]phenol

4-[diazo-(4-hydroxyphenyl)methyl]phenol (PubChem CID 21162866) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[diazo-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[diazo-(4-hydroxyphenyl)methyl]phenol
PubChem CID21162866
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-[diazo-(4-hydroxyphenyl)methyl]phenol
SMILES[N-]=[N+]=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C13H10N2O2/c14-15-13(9-1-5-11(16)6-2-9)10-3-7-12(17)8-4-10/h1-8,16-17H
InChIKeyCXBOHAIIWOHQAU-UHFFFAOYSA-N
XLogP2.16
TPSA76.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[diazo-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[diazo-(4-hydroxyphenyl)methyl]phenol (CID 21162866) is 4-[diazo-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[diazo-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[diazo-(4-hydroxyphenyl)methyl]phenol is [N-]=[N+]=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[diazo-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is CXBOHAIIWOHQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-15-13(9-1-5-11(16)6-2-9)10-3-7-12(17)8-4-10/h1-8,16-17H.
What are the key properties of 4-[diazo-(4-hydroxyphenyl)methyl]phenol?
4-[diazo-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 226.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diazo-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 21162866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).