1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate

C11H13NO3 — CID 87619875

IUPAC1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate
SMILESCC(=O)OC(C)c1ccccc1/C=N/O
InChIInChI=1S/C11H13NO3/c1-8(15-9(2)13)11-6-4-3-5-10(11)7-12-14/h3-8,14H,1-2H3/b12-7+
InChIKeyKWSWOGBTJBGBDV-KPKJPENVSA-N
MW207.23 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate

1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate (PubChem CID 87619875) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate.

Molecular Properties

Compound Name1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate
PubChem CID87619875
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate
SMILESCC(=O)OC(C)c1ccccc1/C=N/O
InChIInChI=1S/C11H13NO3/c1-8(15-9(2)13)11-6-4-3-5-10(11)7-12-14/h3-8,14H,1-2H3/b12-7+
InChIKeyKWSWOGBTJBGBDV-KPKJPENVSA-N
XLogP2.12
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
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

(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
CID 20711802
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
[(1S)-1-(2-bromophenyl)ethyl] acetate
CID 130609094
4-(2-formylphenyl)but-3-yn-2-yl acetate;4-[2-[(E)-hydroxyiminomethyl]phenyl]but-3-yn-2-yl acetate
CID 172952429
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide
CID 171899286
[1-(2-formylphenyl)-2-nitropropyl] acetate
CID 11572371
1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate?
The IUPAC name of 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate (CID 87619875) is 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate.
What is the SMILES notation for 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate?
The canonical SMILES for 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate is CC(=O)OC(C)c1ccccc1/C=N/O.
What is the InChIKey of 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate?
The InChIKey is KWSWOGBTJBGBDV-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(15-9(2)13)11-6-4-3-5-10(11)7-12-14/h3-8,14H,1-2H3/b12-7+.
What are the key properties of 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate?
1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate has a molecular weight of 207.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate is sourced from PubChem (CID 87619875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).