2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol

C24H33NO3 — CID 135717091

IUPAC2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
SMILESCCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N\O)c(O)c1
InChIInChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-12-17-28-21-15-16-22(24(26)19-21)23(25-27)18-20-13-10-9-11-14-20/h9-11,13-16,19,26-27H,2-8,12,17-18H2,1H3/b25-23-
InChIKeyWVUVSQXIHNPGDV-BZZOAKBMSA-N
MW383.53 g/mol
LogP6.33
Rot. Bonds13

About 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol

2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol (PubChem CID 135717091) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol.

Molecular Properties

Compound Name2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
PubChem CID135717091
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
SMILESCCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N\O)c(O)c1
InChIInChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-12-17-28-21-15-16-22(24(26)19-21)23(25-27)18-20-13-10-9-11-14-20/h9-11,13-16,19,26-27H,2-8,12,17-18H2,1H3/b25-23-
InChIKeyWVUVSQXIHNPGDV-BZZOAKBMSA-N
XLogP6.33
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-phenylmethoxyphenol
CID 135699535
1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
CID 4534112
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 137035171
5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 135699307
2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol
CID 4197796
2-benzyl-5-octoxyphenol
CID 143162484
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol?
The IUPAC name of 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol (CID 135717091) is 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol.
What is the SMILES notation for 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol?
The canonical SMILES for 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol is CCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N\O)c(O)c1.
What is the InChIKey of 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol?
The InChIKey is WVUVSQXIHNPGDV-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-12-17-28-21-15-16-22(24(26)19-21)23(25-27)18-20-13-10-9-11-14-20/h9-11,13-16,19,26-27H,2-8,12,17-18H2,1H3/b25-23-.
What are the key properties of 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol?
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol has a molecular weight of 383.53 g/mol, XLogP of 6.33, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol is sourced from PubChem (CID 135717091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).