4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol

C14H13BrN2O2 — CID 145098019

IUPAC4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/NC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c15-12-3-1-2-11(8-12)14(19)17-16-9-10-4-6-13(18)7-5-10/h1-9,14,17-19H/b16-9+
InChIKeyUPKQIWSNIBPROG-CXUHLZMHSA-N
MW321.17 g/mol
LogP2.77
Rot. Bonds4

About 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol

4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol (PubChem CID 145098019) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol
PubChem CID145098019
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/NC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c15-12-3-1-2-11(8-12)14(19)17-16-9-10-4-6-13(18)7-5-10/h1-9,14,17-19H/b16-9+
InChIKeyUPKQIWSNIBPROG-CXUHLZMHSA-N
XLogP2.77
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 40650959
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612
[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid
CID 716613
1-[(3-bromophenyl)methyl]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
CID 136858105
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135548495

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol (CID 145098019) is 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/NC(O)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol?
The InChIKey is UPKQIWSNIBPROG-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-3-1-2-11(8-12)14(19)17-16-9-10-4-6-13(18)7-5-10/h1-9,14,17-19H/b16-9+.
What are the key properties of 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol?
4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol has a molecular weight of 321.17 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 145098019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).