2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid

C16H11NO5 — CID 66713203

IUPAC2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccc(Oc3ccccc3)cc2C1=O
InChIInChI=1S/C16H11NO5/c18-14(19)9-17-15(20)12-7-6-11(8-13(12)16(17)21)22-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyFFYAWJNRPVNAHT-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.16
Rot. Bonds4

About 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid

2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid (PubChem CID 66713203) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
PubChem CID66713203
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccc(Oc3ccccc3)cc2C1=O
InChIInChI=1S/C16H11NO5/c18-14(19)9-17-15(20)12-7-6-11(8-13(12)16(17)21)22-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyFFYAWJNRPVNAHT-UHFFFAOYSA-N
XLogP2.16
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(3-aminophenoxy)-1,3-dioxoisoindol-2-yl]acetate
CID 8545542
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)benzoic acid
CID 1360682
ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate
CID 66712997
2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
CID 5210469
3-[4-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]benzoate
CID 4081510
2-[(4-phenoxyanilino)methyl]isoindole-1,3-dione
CID 708373
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide
CID 1070738
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 2232828
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031820
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid (CID 66713203) is 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid is O=C(O)CN1C(=O)c2ccc(Oc3ccccc3)cc2C1=O.
What is the InChIKey of 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid?
The InChIKey is FFYAWJNRPVNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c18-14(19)9-17-15(20)12-7-6-11(8-13(12)16(17)21)22-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid?
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid has a molecular weight of 297.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid is sourced from PubChem (CID 66713203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).