8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid

C21H25NO4 — CID 57219845

IUPAC8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid
SMILESO=C(O)CCCCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c23-19-14-12-17(13-15-19)16-26-22-20(18-8-4-3-5-9-18)10-6-1-2-7-11-21(24)25/h3-5,8-10,12-15,22-23H,1-2,6-7,11,16H2,(H,24,25)
InChIKeyQZJSLTZWIOHABT-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.49
Rot. Bonds11

About 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid

8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid (PubChem CID 57219845) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid.

Molecular Properties

Compound Name8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid
PubChem CID57219845
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid
SMILESO=C(O)CCCCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c23-19-14-12-17(13-15-19)16-26-22-20(18-8-4-3-5-9-18)10-6-1-2-7-11-21(24)25/h3-5,8-10,12-15,22-23H,1-2,6-7,11,16H2,(H,24,25)
InChIKeyQZJSLTZWIOHABT-UHFFFAOYSA-N
XLogP4.49
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid?
The IUPAC name of 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid (CID 57219845) is 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid.
What is the SMILES notation for 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid?
The canonical SMILES for 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid is O=C(O)CCCCCC=C(NOCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid?
The InChIKey is QZJSLTZWIOHABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-19-14-12-17(13-15-19)16-26-22-20(18-8-4-3-5-9-18)10-6-1-2-7-11-21(24)25/h3-5,8-10,12-15,22-23H,1-2,6-7,11,16H2,(H,24,25).
What are the key properties of 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid?
8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid has a molecular weight of 355.43 g/mol, XLogP of 4.49, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoic acid is sourced from PubChem (CID 57219845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).