acetic acid;2-hydroxyimino-2-phenylethanol

C10H13NO4 — CID 57373390

IUPACacetic acid;2-hydroxyimino-2-phenylethanol
SMILESCC(=O)O.OCC(=NO)c1ccccc1
InChIInChI=1S/C8H9NO2.C2H4O2/c10-6-8(9-11)7-4-2-1-3-5-7;1-2(3)4/h1-5,10-11H,6H2;1H3,(H,3,4)
InChIKeyMBVPWAMWVIHMDA-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.95
Rot. Bonds2

About acetic acid;2-hydroxyimino-2-phenylethanol

acetic acid;2-hydroxyimino-2-phenylethanol (PubChem CID 57373390) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is acetic acid;2-hydroxyimino-2-phenylethanol.

Molecular Properties

Compound Nameacetic acid;2-hydroxyimino-2-phenylethanol
PubChem CID57373390
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameacetic acid;2-hydroxyimino-2-phenylethanol
SMILESCC(=O)O.OCC(=NO)c1ccccc1
InChIInChI=1S/C8H9NO2.C2H4O2/c10-6-8(9-11)7-4-2-1-3-5-7;1-2(3)4/h1-5,10-11H,6H2;1H3,(H,3,4)
InChIKeyMBVPWAMWVIHMDA-UHFFFAOYSA-N
XLogP0.95
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.95
H-Bond Donors ≤ 53
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

copper;2-hydroxyimino-2-phenylethanol
CID 88811267
CID 134863341
CID 134863341
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
N-[(3Z)-3-hydroxyimino-3-phenylpropanethioyl]acetamide
CID 134868081
acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 19784525
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
CID 5384608
acetic acid;benzoic acid;ethane-1,2-diol
CID 68854704
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-hydroxyimino-2-phenylethanol?
The IUPAC name of acetic acid;2-hydroxyimino-2-phenylethanol (CID 57373390) is acetic acid;2-hydroxyimino-2-phenylethanol.
What is the SMILES notation for acetic acid;2-hydroxyimino-2-phenylethanol?
The canonical SMILES for acetic acid;2-hydroxyimino-2-phenylethanol is CC(=O)O.OCC(=NO)c1ccccc1.
What is the InChIKey of acetic acid;2-hydroxyimino-2-phenylethanol?
The InChIKey is MBVPWAMWVIHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H4O2/c10-6-8(9-11)7-4-2-1-3-5-7;1-2(3)4/h1-5,10-11H,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-hydroxyimino-2-phenylethanol?
acetic acid;2-hydroxyimino-2-phenylethanol has a molecular weight of 211.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-hydroxyimino-2-phenylethanol is sourced from PubChem (CID 57373390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).