5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid

C15H22O4 — CID 65260124

IUPAC5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
SMILESCOCc1cccc(OCCCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H22O4/c1-15(2,14(16)17)8-5-9-19-13-7-4-6-12(10-13)11-18-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,16,17)
InChIKeyQZVDNEFYSOWHRL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.10
Rot. Bonds8

About 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid

5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid (PubChem CID 65260124) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
PubChem CID65260124
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
SMILESCOCc1cccc(OCCCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H22O4/c1-15(2,14(16)17)8-5-9-19-13-7-4-6-12(10-13)11-18-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,16,17)
InChIKeyQZVDNEFYSOWHRL-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanethioamide
CID 65257289
6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
CID 63985201
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
5-[(3-chlorophenyl)methoxy]-2,2-dimethylpentanoic acid
CID 65260329
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
5-[4-[4-(4-carboxy-4-methylpentoxy)phenyl]phenoxy]-2,2-dimethylpentanoic acid
CID 13050541

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid (CID 65260124) is 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid is COCc1cccc(OCCCC(C)(C)C(=O)O)c1.
What is the InChIKey of 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid?
The InChIKey is QZVDNEFYSOWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,14(16)17)8-5-9-19-13-7-4-6-12(10-13)11-18-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid?
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65260124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).