methyl 2-(2-chloro-6-nitrophenoxy)propanoate

C10H10ClNO5 — CID 107716272

IUPACmethyl 2-(2-chloro-6-nitrophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO5/c1-6(10(13)16-2)17-9-7(11)4-3-5-8(9)12(14)15/h3-6H,1-2H3
InChIKeyIFJWPQSQCYOXIT-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-(2-chloro-6-nitrophenoxy)propanoate

methyl 2-(2-chloro-6-nitrophenoxy)propanoate (PubChem CID 107716272) has the molecular formula C10H10ClNO5 and a molecular weight of 259.64 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-nitrophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-nitrophenoxy)propanoate
PubChem CID107716272
Molecular FormulaC10H10ClNO5
Molecular Weight259.64 g/mol
Exact Mass259.02
IUPAC Namemethyl 2-(2-chloro-6-nitrophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO5/c1-6(10(13)16-2)17-9-7(11)4-3-5-8(9)12(14)15/h3-6H,1-2H3
InChIKeyIFJWPQSQCYOXIT-UHFFFAOYSA-N
XLogP2.19
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-chloro-4-formyl-6-nitrophenoxy)propanoate
CID 86664208
methyl 2-(4-nitronaphthalen-1-yl)oxypropanoate
CID 63690119
methyl 2-(2-chloro-6-nitroanilino)-3-methylbutanoate
CID 62083904
methyl 2-(4-chloro-2-nitrophenoxy)propanoate
CID 54941361
methyl 2-chloro-3-(2-chloro-6-nitrophenyl)propanoate
CID 21327869
methyl 2-chloro-3-[(2-chloro-6-nitrobenzoyl)amino]propanoate
CID 103492740
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
1-(2-chloro-6-nitrophenoxy)-3-methylpentan-2-one
CID 103864101
1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
CID 107717274
3-(2-chloro-6-nitrophenoxy)-4,4,4-trifluorobutanoic acid
CID 107718912
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
2-amino-4-(2-chloro-6-nitrophenoxy)-2-methylbutanoic acid
CID 107718459

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-nitrophenoxy)propanoate?
The IUPAC name of methyl 2-(2-chloro-6-nitrophenoxy)propanoate (CID 107716272) is methyl 2-(2-chloro-6-nitrophenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-chloro-6-nitrophenoxy)propanoate?
The canonical SMILES for methyl 2-(2-chloro-6-nitrophenoxy)propanoate is COC(=O)C(C)Oc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(2-chloro-6-nitrophenoxy)propanoate?
The InChIKey is IFJWPQSQCYOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO5/c1-6(10(13)16-2)17-9-7(11)4-3-5-8(9)12(14)15/h3-6H,1-2H3.
What are the key properties of methyl 2-(2-chloro-6-nitrophenoxy)propanoate?
methyl 2-(2-chloro-6-nitrophenoxy)propanoate has a molecular weight of 259.64 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-nitrophenoxy)propanoate is sourced from PubChem (CID 107716272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).