4-[(E)-prop-2-ynoxyiminomethyl]phenol

C10H9NO2 — CID 137274237

IUPAC4-[(E)-prop-2-ynoxyiminomethyl]phenol
SMILESC#CCO/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H9NO2/c1-2-7-13-11-8-9-3-5-10(12)6-4-9/h1,3-6,8,12H,7H2/b11-8+
InChIKeyZCPZYUSUBHJHOI-DHZHZOJOSA-N
MW175.19 g/mol
LogP1.38
Rot. Bonds3

About 4-[(E)-prop-2-ynoxyiminomethyl]phenol

4-[(E)-prop-2-ynoxyiminomethyl]phenol (PubChem CID 137274237) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-[(E)-prop-2-ynoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-prop-2-ynoxyiminomethyl]phenol
PubChem CID137274237
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-[(E)-prop-2-ynoxyiminomethyl]phenol
SMILESC#CCO/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H9NO2/c1-2-7-13-11-8-9-3-5-10(12)6-4-9/h1,3-6,8,12H,7H2/b11-8+
InChIKeyZCPZYUSUBHJHOI-DHZHZOJOSA-N
XLogP1.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
CID 139207565
4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663915
benzene-1,4-diol;3-prop-2-ynoxyprop-1-yne
CID 22749294
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine
CID 137263424
4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol
CID 135462076
[4-chloro-2-(prop-2-ynoxyiminomethyl)phenyl] acetate
CID 54278474
4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol
CID 137100959
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
[(E)-(4-hydroxyphenyl)methylideneamino] benzoate
CID 135572086
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856168

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-2-ynoxyiminomethyl]phenol?
The IUPAC name of 4-[(E)-prop-2-ynoxyiminomethyl]phenol (CID 137274237) is 4-[(E)-prop-2-ynoxyiminomethyl]phenol.
What is the SMILES notation for 4-[(E)-prop-2-ynoxyiminomethyl]phenol?
The canonical SMILES for 4-[(E)-prop-2-ynoxyiminomethyl]phenol is C#CCO/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-prop-2-ynoxyiminomethyl]phenol?
The InChIKey is ZCPZYUSUBHJHOI-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-7-13-11-8-9-3-5-10(12)6-4-9/h1,3-6,8,12H,7H2/b11-8+.
What are the key properties of 4-[(E)-prop-2-ynoxyiminomethyl]phenol?
4-[(E)-prop-2-ynoxyiminomethyl]phenol has a molecular weight of 175.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-2-ynoxyiminomethyl]phenol is sourced from PubChem (CID 137274237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).