1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid

C19H26N2O6 — CID 44828386

IUPAC1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
SMILESCc1ccc(C(C)C)cc1OCCOCCn1ccnc1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c1-14(2)16-5-4-15(3)17(12-16)21-11-10-20-9-8-19-7-6-18-13-19;3-1(4)2(5)6/h4-7,12-14H,8-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDSSRWLWVZCVZIH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.57
Rot. Bonds8

About 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid

1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid (PubChem CID 44828386) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
PubChem CID44828386
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
SMILESCc1ccc(C(C)C)cc1OCCOCCn1ccnc1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c1-14(2)16-5-4-15(3)17(12-16)21-11-10-20-9-8-19-7-6-18-13-19;3-1(4)2(5)6/h4-7,12-14H,8-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDSSRWLWVZCVZIH-UHFFFAOYSA-N
XLogP2.57
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine;oxalic acid
CID 2922848
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
CID 40609983
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
1-[4-(2,6-dimethylphenoxy)butyl]imidazole;oxalic acid
CID 2843619
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]triazole-4-carboxylic acid
CID 43516929
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
4-chloro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618748
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
The IUPAC name of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid (CID 44828386) is 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid.
What is the SMILES notation for 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
The canonical SMILES for 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid is Cc1ccc(C(C)C)cc1OCCOCCn1ccnc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
The InChIKey is DSSRWLWVZCVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2H2O4/c1-14(2)16-5-4-15(3)17(12-16)21-11-10-20-9-8-19-7-6-18-13-19;3-1(4)2(5)6/h4-7,12-14H,8-11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid?
1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid has a molecular weight of 378.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid is sourced from PubChem (CID 44828386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).