2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid

C15H15Cl2NO4 — CID 88839181

IUPAC2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid
SMILESCC1CC12Cc1cc(OCC(=O)O)c(Cl)c(Cl)c1C2/C=N\O
InChIInChI=1S/C15H15Cl2NO4/c1-7-3-15(7)4-8-2-10(22-6-11(19)20)13(16)14(17)12(8)9(15)5-18-21/h2,5,7,9,21H,3-4,6H2,1H3,(H,19,20)/b18-5-
InChIKeyQPTXSLNSNJLSNR-DVZOWYKESA-N
MW344.19 g/mol
LogP3.58
Rot. Bonds4

About 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid

2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid (PubChem CID 88839181) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid
PubChem CID88839181
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Name2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid
SMILESCC1CC12Cc1cc(OCC(=O)O)c(Cl)c(Cl)c1C2/C=N\O
InChIInChI=1S/C15H15Cl2NO4/c1-7-3-15(7)4-8-2-10(22-6-11(19)20)13(16)14(17)12(8)9(15)5-18-21/h2,5,7,9,21H,3-4,6H2,1H3,(H,19,20)/b18-5-
InChIKeyQPTXSLNSNJLSNR-DVZOWYKESA-N
XLogP3.58
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 53.58
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'}

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Related Compounds

2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid
CID 21449486
2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid
CID 21449479
2-[(6,7-dichloro-2-cyclopropyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
CID 70552076
2-[[2-butyl-6,7-dichloro-1-oxo-2-(3-oxobutyl)-3H-inden-5-yl]oxy]acetic acid
CID 20520862
2-[[(1Z)-6,7-dichloro-2-(1-hydroxycyclopentyl)-1-hydroxyimino-2-methyl-3H-inden-5-yl]oxy]acetic acid
CID 88839805
2-[[(8aR)-3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
CID 12806940
2-[[6,7-dichloro-2-(cyclopropylmethyl)-1-oxo-2-(3-oxobutyl)-3H-inden-5-yl]oxy]acetic acid
CID 20520771
2-[[(1Z)-6,7-dichloro-2-ethyl-1-hydroxyimino-2-methyl-3-phenyl-3H-inden-5-yl]oxy]acetic acid
CID 88839664
2-[[6,7-dichloro-2-(4-chlorophenyl)-1-oxo-2-prop-2-ynyl-3H-inden-5-yl]oxy]acetic acid
CID 12774095
3-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-hydroxy-1,3-dihydroinden-5-yl)oxy]cyclobutane-1-carboxylic acid
CID 155412531
2-[(2-acetyl-6,7-dichloro-1-benzothiophen-5-yl)oxy]acetic acid
CID 13290041
2-(6,7-dichloro-1-hydroxyimino-2,2,3-trimethyl-3-phenylinden-5-yl)oxyacetic acid
CID 88839555

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid?
The IUPAC name of 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid (CID 88839181) is 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid.
What is the SMILES notation for 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid?
The canonical SMILES for 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid is CC1CC12Cc1cc(OCC(=O)O)c(Cl)c(Cl)c1C2/C=N\O.
What is the InChIKey of 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid?
The InChIKey is QPTXSLNSNJLSNR-DVZOWYKESA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c1-7-3-15(7)4-8-2-10(22-6-11(19)20)13(16)14(17)12(8)9(15)5-18-21/h2,5,7,9,21H,3-4,6H2,1H3,(H,19,20)/b18-5-.
What are the key properties of 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid?
2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid has a molecular weight of 344.19 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid is sourced from PubChem (CID 88839181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).