1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol

C16H17NO3 — CID 21157175

IUPAC1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(/C(=N/O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-12(18)11-20-15-9-7-14(8-10-15)16(17-19)13-5-3-2-4-6-13/h2-10,12,18-19H,11H2,1H3/b17-16+
InChIKeyGWJCMENABTYWFJ-WUKNDPDISA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds5

About 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol

1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol (PubChem CID 21157175) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol
PubChem CID21157175
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(/C(=N/O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-12(18)11-20-15-9-7-14(8-10-15)16(17-19)13-5-3-2-4-6-13/h2-10,12,18-19H,11H2,1H3/b17-16+
InChIKeyGWJCMENABTYWFJ-WUKNDPDISA-N
XLogP2.67
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

4-Nonylphenol diethoxylate
CID 24773
2-(p-Nonylphenoxy)ethanol
CID 7700
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
Polyethylene glycol mono(octylphenyl) ether
CID 94543
3-(4-Nonylphenoxy)-1,2-propanediol
CID 101160
4-(Benzyloxy)benzaldehyde oxime
CID 5331442
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561706
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol (CID 21157175) is 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol is CC(O)COc1ccc(/C(=N/O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol?
The InChIKey is GWJCMENABTYWFJ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(18)11-20-15-9-7-14(8-10-15)16(17-19)13-5-3-2-4-6-13/h2-10,12,18-19H,11H2,1H3/b17-16+.
What are the key properties of 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol?
1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol has a molecular weight of 271.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]propan-2-ol is sourced from PubChem (CID 21157175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).