ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate

C14H19NO4 — CID 18370792

IUPACethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate
SMILESCCOC(=O)/C(CCCc1cccc(OC)c1)=N/O
InChIInChI=1S/C14H19NO4/c1-3-19-14(16)13(15-17)9-5-7-11-6-4-8-12(10-11)18-2/h4,6,8,10,17H,3,5,7,9H2,1-2H3/b15-13+
InChIKeyFEQDGEDBIYGPLY-FYWRMAATSA-N
MW265.31 g/mol
LogP2.41
Rot. Bonds7

About ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate

ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate (PubChem CID 18370792) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate
PubChem CID18370792
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate
SMILESCCOC(=O)/C(CCCc1cccc(OC)c1)=N/O
InChIInChI=1S/C14H19NO4/c1-3-19-14(16)13(15-17)9-5-7-11-6-4-8-12(10-11)18-2/h4,6,8,10,17H,3,5,7,9H2,1-2H3/b15-13+
InChIKeyFEQDGEDBIYGPLY-FYWRMAATSA-N
XLogP2.41
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl (2E)-5-(3-chlorophenyl)-2-hydroxyiminopentanoate
CID 18370564
1-(3-methoxyphenyl)heptan-4-one
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5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
CID 115142102
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
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N-[4-(3-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 71379556
ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate
CID 31100769
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate
CID 23074340
ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
CID 67187832
S-ethyl 3-(3-methoxyphenyl)propanethioate
CID 54757271
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate?
The IUPAC name of ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate (CID 18370792) is ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate.
What is the SMILES notation for ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate?
The canonical SMILES for ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate is CCOC(=O)/C(CCCc1cccc(OC)c1)=N/O.
What is the InChIKey of ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate?
The InChIKey is FEQDGEDBIYGPLY-FYWRMAATSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-14(16)13(15-17)9-5-7-11-6-4-8-12(10-11)18-2/h4,6,8,10,17H,3,5,7,9H2,1-2H3/b15-13+.
What are the key properties of ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate?
ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate has a molecular weight of 265.31 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate is sourced from PubChem (CID 18370792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).