2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol

C19H15NO4 — CID 135567289

IUPAC2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol
SMILESO/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+
InChIKeySFUGTTJDFJMSGN-RGVLZGJSSA-N
MW321.33 g/mol
LogP3.95
Rot. Bonds3

About 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol

2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol (PubChem CID 135567289) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol
PubChem CID135567289
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol
SMILESO/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+
InChIKeySFUGTTJDFJMSGN-RGVLZGJSSA-N
XLogP3.95
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol (CID 135567289) is 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol is O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol?
The InChIKey is SFUGTTJDFJMSGN-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol?
2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol has a molecular weight of 321.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol is sourced from PubChem (CID 135567289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).