2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol

C11H11NO3 — CID 141464535

IUPAC2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol
SMILESC#CCOc1ccc(C(CO)=NO)cc1
InChIInChI=1S/C11H11NO3/c1-2-7-15-10-5-3-9(4-6-10)11(8-13)12-14/h1,3-6,13-14H,7-8H2
InChIKeyDGHPWVNUYWHNFY-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.87
Rot. Bonds4

About 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol

2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol (PubChem CID 141464535) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol.

Molecular Properties

Compound Name2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol
PubChem CID141464535
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol
SMILESC#CCOc1ccc(C(CO)=NO)cc1
InChIInChI=1S/C11H11NO3/c1-2-7-15-10-5-3-9(4-6-10)11(8-13)12-14/h1,3-6,13-14H,7-8H2
InChIKeyDGHPWVNUYWHNFY-UHFFFAOYSA-N
XLogP0.87
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.87
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol?
The IUPAC name of 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol (CID 141464535) is 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol.
What is the SMILES notation for 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol?
The canonical SMILES for 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol is C#CCOc1ccc(C(CO)=NO)cc1.
What is the InChIKey of 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol?
The InChIKey is DGHPWVNUYWHNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-7-15-10-5-3-9(4-6-10)11(8-13)12-14/h1,3-6,13-14H,7-8H2.
What are the key properties of 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol?
2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol has a molecular weight of 205.21 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(4-prop-2-ynoxyphenyl)ethanol is sourced from PubChem (CID 141464535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).