4-(2-methoxy-5-nitrophenoxy)pentanoic acid

C12H15NO6 — CID 62213612

IUPAC4-(2-methoxy-5-nitrophenoxy)pentanoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1OC(C)CCC(=O)O
InChIInChI=1S/C12H15NO6/c1-8(3-6-12(14)15)19-11-7-9(13(16)17)4-5-10(11)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyCGUNQDGANCMTPU-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.24
Rot. Bonds7

About 4-(2-methoxy-5-nitrophenoxy)pentanoic acid

4-(2-methoxy-5-nitrophenoxy)pentanoic acid (PubChem CID 62213612) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-(2-methoxy-5-nitrophenoxy)pentanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-5-nitrophenoxy)pentanoic acid
PubChem CID62213612
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name4-(2-methoxy-5-nitrophenoxy)pentanoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1OC(C)CCC(=O)O
InChIInChI=1S/C12H15NO6/c1-8(3-6-12(14)15)19-11-7-9(13(16)17)4-5-10(11)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyCGUNQDGANCMTPU-UHFFFAOYSA-N
XLogP2.24
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
2-(2-methoxy-5-nitrophenoxy)butanoic acid
CID 43808815
4-(4-methyl-2-nitrophenoxy)pentanoic acid
CID 62212721
2-(1-chloroethoxy)-1-methoxy-4-nitrobenzene
CID 174987281
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
CID 8946929
3-[3-(2-methoxy-5-nitrophenoxy)butyl]-3-methylpyrrolidine
CID 145385435
3-(2-methoxy-4-nitrophenoxy)butanenitrile
CID 114997056
2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine
CID 106840021
(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
2-(2-methoxy-5-nitrophenyl)sulfanylacetic acid
CID 123275688

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-nitrophenoxy)pentanoic acid?
The IUPAC name of 4-(2-methoxy-5-nitrophenoxy)pentanoic acid (CID 62213612) is 4-(2-methoxy-5-nitrophenoxy)pentanoic acid.
What is the SMILES notation for 4-(2-methoxy-5-nitrophenoxy)pentanoic acid?
The canonical SMILES for 4-(2-methoxy-5-nitrophenoxy)pentanoic acid is COc1ccc([N+](=O)[O-])cc1OC(C)CCC(=O)O.
What is the InChIKey of 4-(2-methoxy-5-nitrophenoxy)pentanoic acid?
The InChIKey is CGUNQDGANCMTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-8(3-6-12(14)15)19-11-7-9(13(16)17)4-5-10(11)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-methoxy-5-nitrophenoxy)pentanoic acid?
4-(2-methoxy-5-nitrophenoxy)pentanoic acid has a molecular weight of 269.25 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-nitrophenoxy)pentanoic acid is sourced from PubChem (CID 62213612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).