1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol

C16H25NO2 — CID 173167260

IUPAC1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol
SMILESCCCCCCCC(O)Cc1cccc(C=NO)c1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-10-16(18)12-14-8-7-9-15(11-14)13-17-19/h7-9,11,13,16,18-19H,2-6,10,12H2,1H3
InChIKeyOJFAHYROPSJXTC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.76
Rot. Bonds9

About 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol

1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol (PubChem CID 173167260) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol.

Molecular Properties

Compound Name1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol
PubChem CID173167260
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol
SMILESCCCCCCCC(O)Cc1cccc(C=NO)c1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-10-16(18)12-14-8-7-9-15(11-14)13-17-19/h7-9,11,13,16,18-19H,2-6,10,12H2,1H3
InChIKeyOJFAHYROPSJXTC-UHFFFAOYSA-N
XLogP3.76
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.76
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

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1-[3-(trifluoromethyl)phenyl]heptan-2-ol
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1-(4-methylphenyl)octan-2-ol
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1-(3-methoxyphenyl)non-8-en-2-ol
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1-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol;hydrochloride
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CID 115838202

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol?
The IUPAC name of 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol (CID 173167260) is 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol.
What is the SMILES notation for 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol?
The canonical SMILES for 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol is CCCCCCCC(O)Cc1cccc(C=NO)c1.
What is the InChIKey of 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol?
The InChIKey is OJFAHYROPSJXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-10-16(18)12-14-8-7-9-15(11-14)13-17-19/h7-9,11,13,16,18-19H,2-6,10,12H2,1H3.
What are the key properties of 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol?
1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol is sourced from PubChem (CID 173167260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).