(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate

C18H14ClNO5 — CID 27478473

IUPAC(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
SMILESCOc1ccc(Cl)cc1COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H14ClNO5/c1-20-16(21)13-5-3-10(8-14(13)17(20)22)18(23)25-9-11-7-12(19)4-6-15(11)24-2/h3-8H,9H2,1-2H3
InChIKeyRMUZYQUEBFODEK-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.93
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate

(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate (PubChem CID 27478473) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
PubChem CID27478473
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
SMILESCOc1ccc(Cl)cc1COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H14ClNO5/c1-20-16(21)13-5-3-10(8-14(13)17(20)22)18(23)25-9-11-7-12(19)4-6-15(11)24-2/h3-8H,9H2,1-2H3
InChIKeyRMUZYQUEBFODEK-UHFFFAOYSA-N
XLogP2.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731766
(2-chloro-7-methoxyquinolin-3-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 32759626
(5-chloro-2-methoxyphenyl)methyl 4-chloro-3-methylsulfonylbenzoate
CID 27529077
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816
(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738814
(2,4-dichlorophenyl)methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 18285008
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 46641840
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 42980279
(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
CID 26757554
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
(2-methoxyphenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738829
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55343832

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate (CID 27478473) is (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate is COc1ccc(Cl)cc1COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is RMUZYQUEBFODEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-20-16(21)13-5-3-10(8-14(13)17(20)22)18(23)25-9-11-7-12(19)4-6-15(11)24-2/h3-8H,9H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate?
(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 359.77 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 27478473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).