8-hydroxyimino-8-phenyloctanoic acid

C14H19NO3 — CID 85433757

IUPAC8-hydroxyimino-8-phenyloctanoic acid
SMILESO=C(O)CCCCCCC(=NO)c1ccccc1
InChIInChI=1S/C14H19NO3/c16-14(17)11-7-2-1-6-10-13(15-18)12-8-4-3-5-9-12/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,16,17)
InChIKeyBEMQLJRFYFGNJO-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds8

About 8-hydroxyimino-8-phenyloctanoic acid

8-hydroxyimino-8-phenyloctanoic acid (PubChem CID 85433757) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 8-hydroxyimino-8-phenyloctanoic acid.

Molecular Properties

Compound Name8-hydroxyimino-8-phenyloctanoic acid
PubChem CID85433757
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name8-hydroxyimino-8-phenyloctanoic acid
SMILESO=C(O)CCCCCCC(=NO)c1ccccc1
InChIInChI=1S/C14H19NO3/c16-14(17)11-7-2-1-6-10-13(15-18)12-8-4-3-5-9-12/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,16,17)
InChIKeyBEMQLJRFYFGNJO-UHFFFAOYSA-N
XLogP3.29
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.29
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

(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
N-(1-phenylhex-5-ynylidene)hydroxylamine
CID 131845523
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
CID 90006215

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyimino-8-phenyloctanoic acid?
The IUPAC name of 8-hydroxyimino-8-phenyloctanoic acid (CID 85433757) is 8-hydroxyimino-8-phenyloctanoic acid.
What is the SMILES notation for 8-hydroxyimino-8-phenyloctanoic acid?
The canonical SMILES for 8-hydroxyimino-8-phenyloctanoic acid is O=C(O)CCCCCCC(=NO)c1ccccc1.
What is the InChIKey of 8-hydroxyimino-8-phenyloctanoic acid?
The InChIKey is BEMQLJRFYFGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)11-7-2-1-6-10-13(15-18)12-8-4-3-5-9-12/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,16,17).
What are the key properties of 8-hydroxyimino-8-phenyloctanoic acid?
8-hydroxyimino-8-phenyloctanoic acid has a molecular weight of 249.31 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyimino-8-phenyloctanoic acid is sourced from PubChem (CID 85433757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).