4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol

C14H12BrNO3 — CID 135992550

IUPAC4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
SMILESO/N=C(/Cc1ccc(Br)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H12BrNO3/c15-10-3-1-9(2-4-10)7-13(16-19)12-6-5-11(17)8-14(12)18/h1-6,8,17-19H,7H2/b16-13-
InChIKeyFWPXBKAQCQNVFM-SSZFMOIBSA-N
MW322.16 g/mol
LogP3.28
Rot. Bonds3

About 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol

4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol (PubChem CID 135992550) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
PubChem CID135992550
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
SMILESO/N=C(/Cc1ccc(Br)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H12BrNO3/c15-10-3-1-9(2-4-10)7-13(16-19)12-6-5-11(17)8-14(12)18/h1-6,8,17-19H,7H2/b16-13-
InChIKeyFWPXBKAQCQNVFM-SSZFMOIBSA-N
XLogP3.28
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol (CID 135992550) is 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol is O/N=C(/Cc1ccc(Br)cc1)c1ccc(O)cc1O.
What is the InChIKey of 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol?
The InChIKey is FWPXBKAQCQNVFM-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-10-3-1-9(2-4-10)7-13(16-19)12-6-5-11(17)8-14(12)18/h1-6,8,17-19H,7H2/b16-13-.
What are the key properties of 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol?
4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol has a molecular weight of 322.16 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135992550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).