2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

C19H16ClNO5 — CID 2596864

IUPAC2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)OCCOc1ccccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16ClNO5/c1-12(21-17(22)13-6-2-3-7-14(13)18(21)23)19(24)26-11-10-25-16-9-5-4-8-15(16)20/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyBGVRXHMAKNRYPM-GFCCVEGCSA-N
MW373.79 g/mol
LogP2.95
Rot. Bonds6

About 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 2596864) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID2596864
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)OCCOc1ccccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16ClNO5/c1-12(21-17(22)13-6-2-3-7-14(13)18(21)23)19(24)26-11-10-25-16-9-5-4-8-15(16)20/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyBGVRXHMAKNRYPM-GFCCVEGCSA-N
XLogP2.95
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)ethyl 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816513
2-methylsulfanylethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 102250503
2-(3-bromophenoxy)ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596880
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
(2,4-dichlorophenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2173220
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597534
(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3559613
(4-propan-2-ylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926839
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
[2-(2,4-dichlorophenyl)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 6552560
[2-(2,4-dichlorophenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 1217650

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 2596864) is 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is C[C@H](C(=O)OCCOc1ccccc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is BGVRXHMAKNRYPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-12(21-17(22)13-6-2-3-7-14(13)18(21)23)19(24)26-11-10-25-16-9-5-4-8-15(16)20/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 373.79 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 2596864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).