4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol

C16H16N2O4 — CID 135511243

IUPAC4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol
SMILESCc1cc(O)cc(O)c1/C=N/N=C/c1c(C)cc(O)cc1O
InChIInChI=1S/C16H16N2O4/c1-9-3-11(19)5-15(21)13(9)7-17-18-8-14-10(2)4-12(20)6-16(14)22/h3-8,19-22H,1-2H3/b17-7+,18-8+
InChIKeyGUSABYUNTWEHQX-ZEELXFFVSA-N
MW300.31 g/mol
LogP2.58
Rot. Bonds3

About 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol

4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol (PubChem CID 135511243) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol
PubChem CID135511243
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol
SMILESCc1cc(O)cc(O)c1/C=N/N=C/c1c(C)cc(O)cc1O
InChIInChI=1S/C16H16N2O4/c1-9-3-11(19)5-15(21)13(9)7-17-18-8-14-10(2)4-12(20)6-16(14)22/h3-8,19-22H,1-2H3/b17-7+,18-8+
InChIKeyGUSABYUNTWEHQX-ZEELXFFVSA-N
XLogP2.58
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol?
The IUPAC name of 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol (CID 135511243) is 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol is Cc1cc(O)cc(O)c1/C=N/N=C/c1c(C)cc(O)cc1O.
What is the InChIKey of 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol?
The InChIKey is GUSABYUNTWEHQX-ZEELXFFVSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-3-11(19)5-15(21)13(9)7-17-18-8-14-10(2)4-12(20)6-16(14)22/h3-8,19-22H,1-2H3/b17-7+,18-8+.
What are the key properties of 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol?
4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol has a molecular weight of 300.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol is sourced from PubChem (CID 135511243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).