2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol

C20H25NO3 — CID 168888120

IUPAC2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(/C(=N/CCCCCCO)c2ccccc2)c(O)c1
InChIInChI=1S/C20H25NO3/c1-24-17-11-12-18(19(23)15-17)20(16-9-5-4-6-10-16)21-13-7-2-3-8-14-22/h4-6,9-12,15,22-23H,2-3,7-8,13-14H2,1H3/b21-20+
InChIKeyGIYBNXRBFNGCHQ-QZQOTICOSA-N
MW327.42 g/mol
LogP3.79
Rot. Bonds9

About 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol

2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol (PubChem CID 168888120) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol
PubChem CID168888120
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(/C(=N/CCCCCCO)c2ccccc2)c(O)c1
InChIInChI=1S/C20H25NO3/c1-24-17-11-12-18(19(23)15-17)20(16-9-5-4-6-10-16)21-13-7-2-3-8-14-22/h4-6,9-12,15,22-23H,2-3,7-8,13-14H2,1H3/b21-20+
InChIKeyGIYBNXRBFNGCHQ-QZQOTICOSA-N
XLogP3.79
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.79
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'}

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Related Compounds

2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
CID 136832737
5-methoxy-2-[C-phenyl-N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]carbonimidoyl]phenol
CID 137267134
2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 135699307
5-methoxy-2-(1-phenylethenyl)phenol
CID 11064138
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
CID 175499515
CID 175499515
CID 172864174
CID 172864174
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745

Frequently Asked Questions

What is the IUPAC name of 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol?
The IUPAC name of 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol (CID 168888120) is 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol.
What is the SMILES notation for 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol?
The canonical SMILES for 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol is COc1ccc(/C(=N/CCCCCCO)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol?
The InChIKey is GIYBNXRBFNGCHQ-QZQOTICOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-24-17-11-12-18(19(23)15-17)20(16-9-5-4-6-10-16)21-13-7-2-3-8-14-22/h4-6,9-12,15,22-23H,2-3,7-8,13-14H2,1H3/b21-20+.
What are the key properties of 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol?
2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol has a molecular weight of 327.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol is sourced from PubChem (CID 168888120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).