(2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate

C18H22ClNO5 — CID 10270350

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate
SMILESCc1cc(OCCCCCC(=O)ON2C(=O)CCC2=O)cc(C)c1Cl
InChIInChI=1S/C18H22ClNO5/c1-12-10-14(11-13(2)18(12)19)24-9-5-3-4-6-17(23)25-20-15(21)7-8-16(20)22/h10-11H,3-9H2,1-2H3
InChIKeyCMOVCDQCAKTSAH-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.50
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate (PubChem CID 10270350) has the molecular formula C18H22ClNO5 and a molecular weight of 367.83 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate
PubChem CID10270350
Molecular FormulaC18H22ClNO5
Molecular Weight367.83 g/mol
Exact Mass367.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate
SMILESCc1cc(OCCCCCC(=O)ON2C(=O)CCC2=O)cc(C)c1Cl
InChIInChI=1S/C18H22ClNO5/c1-12-10-14(11-13(2)18(12)19)24-9-5-3-4-6-17(23)25-20-15(21)7-8-16(20)22/h10-11H,3-9H2,1-2H3
InChIKeyCMOVCDQCAKTSAH-UHFFFAOYSA-N
XLogP3.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.50
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

(2,5-dioxopyrrolidin-1-yl) 6-(2,4,5-trichlorophenoxy)hexanoate
CID 23078138
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate
CID 175002043
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-trimethylazanium bromide
CID 87129877

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate (CID 10270350) is (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate is Cc1cc(OCCCCCC(=O)ON2C(=O)CCC2=O)cc(C)c1Cl.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate?
The InChIKey is CMOVCDQCAKTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO5/c1-12-10-14(11-13(2)18(12)19)24-9-5-3-4-6-17(23)25-20-15(21)7-8-16(20)22/h10-11H,3-9H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate has a molecular weight of 367.83 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate is sourced from PubChem (CID 10270350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).