4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

C19H16ClNO4 — CID 2911169

IUPAC4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1CC1CCCO1
InChIInChI=1S/C19H16ClNO4/c20-12-6-8-13(9-7-12)25-16-5-1-4-15-17(16)19(23)21(18(15)22)11-14-3-2-10-24-14/h1,4-9,14H,2-3,10-11H2
InChIKeyRZFHUHWGQVKUKK-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.91
Rot. Bonds4

About 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 2911169) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
PubChem CID2911169
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1CC1CCCO1
InChIInChI=1S/C19H16ClNO4/c20-12-6-8-13(9-7-12)25-16-5-1-4-15-17(16)19(23)21(18(15)22)11-14-3-2-10-24-14/h1,4-9,14H,2-3,10-11H2
InChIKeyRZFHUHWGQVKUKK-UHFFFAOYSA-N
XLogP3.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxy-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 1231025
2-(4-chlorophenyl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17361940
5-(4-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2924807
2-(2,4-dichlorophenoxy)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17362023
4-[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 42436207
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-methoxybenzamide
CID 17362416
4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 42484794
2-(4-chloro-2-methylphenoxy)-N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17362492
4-[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 56855976
3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362062
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362050
2-[[(2R)-oxolan-2-yl]methyl]-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 125163023

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (CID 2911169) is 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is O=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1CC1CCCO1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is RZFHUHWGQVKUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c20-12-6-8-13(9-7-12)25-16-5-1-4-15-17(16)19(23)21(18(15)22)11-14-3-2-10-24-14/h1,4-9,14H,2-3,10-11H2.
What are the key properties of 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 357.79 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 2911169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).