2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol

C17H27NO2 — CID 135948988

IUPAC2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
SMILESCCCCCCCCC/C(=N/O)c1cc(C)ccc1O
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-9-10-16(18-20)15-13-14(2)11-12-17(15)19/h11-13,19-20H,3-10H2,1-2H3/b18-16-
InChIKeyZEOXTTGAOFTAKT-VLGSPTGOSA-N
MW277.41 g/mol
LogP5.02
Rot. Bonds9

About 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol

2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol (PubChem CID 135948988) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
PubChem CID135948988
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
SMILESCCCCCCCCC/C(=N/O)c1cc(C)ccc1O
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-9-10-16(18-20)15-13-14(2)11-12-17(15)19/h11-13,19-20H,3-10H2,1-2H3/b18-16-
InChIKeyZEOXTTGAOFTAKT-VLGSPTGOSA-N
XLogP5.02
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(11E)-11-hydroxyimino-11-(2-hydroxy-5-methylphenyl)undecyl]carbonimidoyl]-4-methylphenol
CID 135684564
2-[(E)-C-butyl-N-hydroxycarbonimidoyl]-5-methylphenol
CID 135589132
4-butoxy-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135615488
4-ethoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 5139795
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
3-[(Z)-1-(2-hydroxy-5-methylphenyl)dodecylideneamino]oxypropanoic acid
CID 136658473
2-[[(10Z)-10-hydroxyimino-10-(2-hydroxy-5-methylphenyl)decanoyl]amino]acetic acid
CID 136720858
4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
4-ethoxy-2-[(E)-C-[(8E)-8-(5-ethoxy-2-hydroxyphenyl)-8-hydroxyiminooctyl]-N-hydroxycarbonimidoyl]phenol
CID 135589308
4-ethoxy-2-[C-[9-(5-ethoxy-2-hydroxyphenyl)-9-hydroxyiminononyl]-N-hydroxycarbonimidoyl]phenol
CID 4144645
O-[1-(2-hydroxy-5-methylphenyl)dodecylideneamino] N-phenylcarbamothioate
CID 4557682

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol (CID 135948988) is 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol is CCCCCCCCC/C(=N/O)c1cc(C)ccc1O.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol?
The InChIKey is ZEOXTTGAOFTAKT-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-7-8-9-10-16(18-20)15-13-14(2)11-12-17(15)19/h11-13,19-20H,3-10H2,1-2H3/b18-16-.
What are the key properties of 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol?
2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol has a molecular weight of 277.41 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol is sourced from PubChem (CID 135948988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).