ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol

C10H15NO2 — CID 136640862

IUPACethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/O)c1ccccc1O.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-6(9-11)7-4-2-3-5-8(7)10;1-2/h2-5,10-11H,1H3;1-2H3/b9-6-;
InChIKeyWBVUGOYPUJZSSU-BORNJIKYSA-N
MW181.23 g/mol
LogP2.62
Rot. Bonds1

About ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol

ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 136640862) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Nameethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID136640862
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/O)c1ccccc1O.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-6(9-11)7-4-2-3-5-8(7)10;1-2/h2-5,10-11H,1H3;1-2H3/b9-6-;
InChIKeyWBVUGOYPUJZSSU-BORNJIKYSA-N
XLogP2.62
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]boronic acid
CID 119085473
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 137052044
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
CID 139073697
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
CID 136835617
ethane;1-(2-hydroxyphenyl)ethanone;2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenol
CID 172964742
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 136640862) is ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N/O)c1ccccc1O.CC.
What is the InChIKey of ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is WBVUGOYPUJZSSU-BORNJIKYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-6(9-11)7-4-2-3-5-8(7)10;1-2/h2-5,10-11H,1H3;1-2H3/b9-6-;.
What are the key properties of ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 181.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136640862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).