4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid

C26H18O7 — CID 14177974

IUPAC4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C(=O)O)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H18O7/c27-25(28)17-1-5-19(6-2-17)31-21-9-13-23(14-10-21)33-24-15-11-22(12-16-24)32-20-7-3-18(4-8-20)26(29)30/h1-16H,(H,27,28)(H,29,30)
InChIKeyWTNXKWQSNLXTDL-UHFFFAOYSA-N
MW442.42 g/mol
LogP6.46
Rot. Bonds8

About 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid

4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid (PubChem CID 14177974) has the molecular formula C26H18O7 and a molecular weight of 442.42 g/mol. Its IUPAC name is 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid.

Molecular Properties

Compound Name4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
PubChem CID14177974
Molecular FormulaC26H18O7
Molecular Weight442.42 g/mol
Exact Mass442.11
IUPAC Name4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C(=O)O)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H18O7/c27-25(28)17-1-5-19(6-2-17)31-21-9-13-23(14-10-21)33-24-15-11-22(12-16-24)32-20-7-3-18(4-8-20)26(29)30/h1-16H,(H,27,28)(H,29,30)
InChIKeyWTNXKWQSNLXTDL-UHFFFAOYSA-N
XLogP6.46
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-acetylphenoxy)benzoic acid
CID 60723234
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanylphenoxy]benzoic acid
CID 14177975
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanyloxysulfanylphenoxy]benzoic acid
CID 174670474
terephthalic acid
CID 160582437
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-pyridin-3-yloxybenzoic acid
CID 22261667
4-(2-aminopyrimidin-5-yl)oxybenzoic acid
CID 115038087
4-[4-[4-[4-[4-(4-carboxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]benzoic acid
CID 22404867
4-phosphanyloxybenzoic acid
CID 59660293
4-[4-amino-3-(4-carboxyphenoxy)phenoxy]benzoic acid
CID 122388831

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid?
The IUPAC name of 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid (CID 14177974) is 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid.
What is the SMILES notation for 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid?
The canonical SMILES for 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid is O=C(O)c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C(=O)O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid?
The InChIKey is WTNXKWQSNLXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O7/c27-25(28)17-1-5-19(6-2-17)31-21-9-13-23(14-10-21)33-24-15-11-22(12-16-24)32-20-7-3-18(4-8-20)26(29)30/h1-16H,(H,27,28)(H,29,30).
What are the key properties of 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid?
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid has a molecular weight of 442.42 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid is sourced from PubChem (CID 14177974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).