2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid

C15H22O5 — CID 106794153

IUPAC2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid
SMILESCOc1cc(COCCOC(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C15H22O5/c1-15(2,3)20-8-7-19-10-11-5-6-12(14(16)17)13(9-11)18-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,17)
InChIKeySOPXGUKIELODCY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds7

About 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid

2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid (PubChem CID 106794153) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid
PubChem CID106794153
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid
SMILESCOc1cc(COCCOC(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C15H22O5/c1-15(2,3)20-8-7-19-10-11-5-6-12(14(16)17)13(9-11)18-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,17)
InChIKeySOPXGUKIELODCY-UHFFFAOYSA-N
XLogP2.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
4-ethyl-2-methoxybenzoic acid
CID 18687349
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]boronic acid
CID 112588686
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962
2-methyl-4-[(3,4,5-trimethoxyphenyl)methoxymethyl]benzoic acid
CID 70358433
4-(acetamidomethyl)-2-methoxybenzoic acid
CID 131252000
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide
CID 105351577
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
2-methoxy-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106794086
4-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methoxybenzoic acid
CID 106794169
4-[2-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]ethyl]-2-methoxybenzoic acid
CID 171715332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid?
The IUPAC name of 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid (CID 106794153) is 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid?
The canonical SMILES for 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid is COc1cc(COCCOC(C)(C)C)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid?
The InChIKey is SOPXGUKIELODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-15(2,3)20-8-7-19-10-11-5-6-12(14(16)17)13(9-11)18-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,17).
What are the key properties of 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid?
2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid is sourced from PubChem (CID 106794153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).