4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid

C25H26O6 — CID 102343472

IUPAC4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
SMILESCOCCOCCOc1ccc(-c2ccc(COc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C25H26O6/c1-28-14-15-29-16-17-30-23-10-6-21(7-11-23)20-4-2-19(3-5-20)18-31-24-12-8-22(9-13-24)25(26)27/h2-13H,14-18H2,1H3,(H,26,27)
InChIKeyGIWUNZJSFCVARZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.67
Rot. Bonds12

About 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid

4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid (PubChem CID 102343472) has the molecular formula C25H26O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
PubChem CID102343472
Molecular FormulaC25H26O6
Molecular Weight422.48 g/mol
Exact Mass422.17
IUPAC Name4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
SMILESCOCCOCCOc1ccc(-c2ccc(COc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C25H26O6/c1-28-14-15-29-16-17-30-23-10-6-21(7-11-23)20-4-2-19(3-5-20)18-31-24-12-8-22(9-13-24)25(26)27/h2-13H,14-18H2,1H3,(H,26,27)
InChIKeyGIWUNZJSFCVARZ-UHFFFAOYSA-N
XLogP4.67
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(4-octoxyphenyl)methoxy]benzoic acid
CID 57070929
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
4-phenylmethoxybenzoic acid
CID 68896574
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid?
The IUPAC name of 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid (CID 102343472) is 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid?
The canonical SMILES for 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid is COCCOCCOc1ccc(-c2ccc(COc3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid?
The InChIKey is GIWUNZJSFCVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O6/c1-28-14-15-29-16-17-30-23-10-6-21(7-11-23)20-4-2-19(3-5-20)18-31-24-12-8-22(9-13-24)25(26)27/h2-13H,14-18H2,1H3,(H,26,27).
What are the key properties of 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid?
4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid has a molecular weight of 422.48 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid is sourced from PubChem (CID 102343472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).