3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid

C22H20O5 — CID 22687712

IUPAC3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid
SMILESCOc1cccc(C(=O)O)c1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C22H20O5/c1-25-20-13-7-11-18(22(23)24)21(20)27-15-14-26-19-12-6-5-10-17(19)16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyQUIKIWIVKLGDEM-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.52
Rot. Bonds8

About 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid

3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid (PubChem CID 22687712) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid
PubChem CID22687712
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid
SMILESCOc1cccc(C(=O)O)c1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C22H20O5/c1-25-20-13-7-11-18(22(23)24)21(20)27-15-14-26-19-12-6-5-10-17(19)16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyQUIKIWIVKLGDEM-UHFFFAOYSA-N
XLogP4.52
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.52
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

3-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20991667
2-[2-(4-chlorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22680011
2-(3-hydroxy-3-methylbutoxy)-3-methoxybenzoic acid
CID 79359631
3-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61483895
3-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190588
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
3-methoxy-2-(2-propylsulfonylethoxy)benzoic acid
CID 106721769
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
3-butoxy-2-methoxybenzoic acid
CID 82161610
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
2-(difluoromethoxy)-3-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 55333264

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid?
The IUPAC name of 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid (CID 22687712) is 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid is COc1cccc(C(=O)O)c1OCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid?
The InChIKey is QUIKIWIVKLGDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-25-20-13-7-11-18(22(23)24)21(20)27-15-14-26-19-12-6-5-10-17(19)16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,23,24).
What are the key properties of 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid?
3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid has a molecular weight of 364.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 22687712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).