(4-phenoxyphenyl) N-hydroxyethanimidate

C14H13NO3 — CID 173403017

IUPAC(4-phenoxyphenyl) N-hydroxyethanimidate
SMILESCC(=NO)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13NO3/c1-11(15-16)17-13-7-9-14(10-8-13)18-12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKeyMRTBCYYRXQALJP-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.67
Rot. Bonds3

About (4-phenoxyphenyl) N-hydroxyethanimidate

(4-phenoxyphenyl) N-hydroxyethanimidate (PubChem CID 173403017) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (4-phenoxyphenyl) N-hydroxyethanimidate.

Molecular Properties

Compound Name(4-phenoxyphenyl) N-hydroxyethanimidate
PubChem CID173403017
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(4-phenoxyphenyl) N-hydroxyethanimidate
SMILESCC(=NO)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13NO3/c1-11(15-16)17-13-7-9-14(10-8-13)18-12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKeyMRTBCYYRXQALJP-UHFFFAOYSA-N
XLogP3.67
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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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Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) N-hydroxyethanimidate?
The IUPAC name of (4-phenoxyphenyl) N-hydroxyethanimidate (CID 173403017) is (4-phenoxyphenyl) N-hydroxyethanimidate.
What is the SMILES notation for (4-phenoxyphenyl) N-hydroxyethanimidate?
The canonical SMILES for (4-phenoxyphenyl) N-hydroxyethanimidate is CC(=NO)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) N-hydroxyethanimidate?
The InChIKey is MRTBCYYRXQALJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-11(15-16)17-13-7-9-14(10-8-13)18-12-5-3-2-4-6-12/h2-10,16H,1H3.
What are the key properties of (4-phenoxyphenyl) N-hydroxyethanimidate?
(4-phenoxyphenyl) N-hydroxyethanimidate has a molecular weight of 243.26 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) N-hydroxyethanimidate is sourced from PubChem (CID 173403017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).