2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone

C18H18N2O4 — CID 137037352

IUPAC2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone
SMILESCc1cc(C=NN=Cc2ccc(O)c(C(=O)CO)c2)cc(C)c1O
InChIInChI=1S/C18H18N2O4/c1-11-5-14(6-12(2)18(11)24)9-20-19-8-13-3-4-16(22)15(7-13)17(23)10-21/h3-9,21-22,24H,10H2,1-2H3
InChIKeyVHDPALXEEYIOGG-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.34
Rot. Bonds5

About 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone

2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone (PubChem CID 137037352) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone
PubChem CID137037352
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone
SMILESCc1cc(C=NN=Cc2ccc(O)c(C(=O)CO)c2)cc(C)c1O
InChIInChI=1S/C18H18N2O4/c1-11-5-14(6-12(2)18(11)24)9-20-19-8-13-3-4-16(22)15(7-13)17(23)10-21/h3-9,21-22,24H,10H2,1-2H3
InChIKeyVHDPALXEEYIOGG-UHFFFAOYSA-N
XLogP2.34
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol
CID 136651369
2-methyl-4-(methyliminomethyl)phenol
CID 137125843
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate
CID 137120358
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
CID 135598743
2-hydroxy-5-methanehydrazonoylbenzoic acid
CID 168528918
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
4-[(4-hydroxyphenyl)iminomethyl]-2-methylphenol
CID 156775651
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone (CID 137037352) is 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone is Cc1cc(C=NN=Cc2ccc(O)c(C(=O)CO)c2)cc(C)c1O.
What is the InChIKey of 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone?
The InChIKey is VHDPALXEEYIOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-5-14(6-12(2)18(11)24)9-20-19-8-13-3-4-16(22)15(7-13)17(23)10-21/h3-9,21-22,24H,10H2,1-2H3.
What are the key properties of 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone?
2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone has a molecular weight of 326.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone is sourced from PubChem (CID 137037352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).