6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid

C19H21NO4 — CID 57040484

IUPAC6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid
SMILESO=C(O)CCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17-12-10-15(11-13-17)14-24-20-18(8-4-5-9-19(22)23)16-6-2-1-3-7-16/h1-3,6-8,10-13,20-21H,4-5,9,14H2,(H,22,23)
InChIKeyZQIXTIUWGIOGSD-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.71
Rot. Bonds9

About 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid

6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid (PubChem CID 57040484) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid
PubChem CID57040484
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid
SMILESO=C(O)CCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17-12-10-15(11-13-17)14-24-20-18(8-4-5-9-19(22)23)16-6-2-1-3-7-16/h1-3,6-8,10-13,20-21H,4-5,9,14H2,(H,22,23)
InChIKeyZQIXTIUWGIOGSD-UHFFFAOYSA-N
XLogP3.71
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.71
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 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid?
The IUPAC name of 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid (CID 57040484) is 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid.
What is the SMILES notation for 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid?
The canonical SMILES for 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid is O=C(O)CCCC=C(NOCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid?
The InChIKey is ZQIXTIUWGIOGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-17-12-10-15(11-13-17)14-24-20-18(8-4-5-9-19(22)23)16-6-2-1-3-7-16/h1-3,6-8,10-13,20-21H,4-5,9,14H2,(H,22,23).
What are the key properties of 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid?
6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoic acid is sourced from PubChem (CID 57040484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).