4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol

C10H13NO3 — CID 136848905

IUPAC4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
SMILESCCC/C(=N/O)c1ccc(O)cc1O
InChIInChI=1S/C10H13NO3/c1-2-3-9(11-14)8-5-4-7(12)6-10(8)13/h4-6,12-14H,2-3H2,1H3/b11-9-
InChIKeyYCKWYIRYEKQIRQ-LUAWRHEFSA-N
MW195.22 g/mol
LogP2.08
Rot. Bonds3

About 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol

4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol (PubChem CID 136848905) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
PubChem CID136848905
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
SMILESCCC/C(=N/O)c1ccc(O)cc1O
InChIInChI=1S/C10H13NO3/c1-2-3-9(11-14)8-5-4-7(12)6-10(8)13/h4-6,12-14H,2-3H2,1H3/b11-9-
InChIKeyYCKWYIRYEKQIRQ-LUAWRHEFSA-N
XLogP2.08
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.08
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

4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
4-[C-[9-(2,4-dihydroxyphenyl)-9-hydroxyiminononyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 5201949
2-(N-hydroxy-C-propylcarbonimidoyl)phenol
CID 577235
2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol
CID 4197796
2-[(E)-C-butyl-N-hydroxycarbonimidoyl]-5-methylphenol
CID 135589132
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 135992550
N-[1-(2,4-dihydroxyphenyl)butylideneamino]-1-phenylmethanesulfonamide
CID 4572549
5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 137035171
ethyl 5-[(2Z)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate
CID 135638492

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol (CID 136848905) is 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol is CCC/C(=N/O)c1ccc(O)cc1O.
What is the InChIKey of 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is YCKWYIRYEKQIRQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-9(11-14)8-5-4-7(12)6-10(8)13/h4-6,12-14H,2-3H2,1H3/b11-9-.
What are the key properties of 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol?
4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 195.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 136848905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).