4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol

C13H10FNO3 — CID 135657536

IUPAC4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol
SMILESO/N=C(\c1ccc(O)cc1O)c1ccccc1F
InChIInChI=1S/C13H10FNO3/c14-11-4-2-1-3-9(11)13(15-18)10-6-5-8(16)7-12(10)17/h1-7,16-18H/b15-13-
InChIKeyWOCSIRGXJTYEPL-SQFISAMPSA-N
MW247.23 g/mol
LogP2.46
Rot. Bonds2

About 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol

4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol (PubChem CID 135657536) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol
PubChem CID135657536
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol
SMILESO/N=C(\c1ccc(O)cc1O)c1ccccc1F
InChIInChI=1S/C13H10FNO3/c14-11-4-2-1-3-9(11)13(15-18)10-6-5-8(16)7-12(10)17/h1-7,16-18H/b15-13-
InChIKeyWOCSIRGXJTYEPL-SQFISAMPSA-N
XLogP2.46
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.46
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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Related Compounds

1,3-Benzenediol, 4-(phenylmethyl)-
CID 75294
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3-Fluoro-3'-[(E)-(Hydroxyimino)methyl][1,1'-Biphenyl]-4,4'-Diol
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4-[N-butoxy-C-(4-hydroxyphenyl)carbonimidoyl]phenol
CID 137175229
4-[C-(4-hydroxyphenyl)-N-pent-4-enoxycarbonimidoyl]phenol
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3-(2-Hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
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4-(2-Phenylethyl)resorcinol
CID 15664656
4'-O-Demethylbroussonin A
CID 10900865
1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135400493
2-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 136046116

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol (CID 135657536) is 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol is O/N=C(\c1ccc(O)cc1O)c1ccccc1F.
What is the InChIKey of 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol?
The InChIKey is WOCSIRGXJTYEPL-SQFISAMPSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-4-2-1-3-9(11)13(15-18)10-6-5-8(16)7-12(10)17/h1-7,16-18H/b15-13-.
What are the key properties of 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol?
4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol has a molecular weight of 247.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135657536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).