4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid

C19H14O5 — CID 10426260

IUPAC4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cccc(Oc3cccc(O)c3)c2)cc1
InChIInChI=1S/C19H14O5/c20-14-3-1-4-16(11-14)24-18-6-2-5-17(12-18)23-15-9-7-13(8-10-15)19(21)22/h1-12,20H,(H,21,22)
InChIKeyMOFVXOQVHXGGER-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.68
Rot. Bonds5

About 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid

4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid (PubChem CID 10426260) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid.

Molecular Properties

Compound Name4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
PubChem CID10426260
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cccc(Oc3cccc(O)c3)c2)cc1
InChIInChI=1S/C19H14O5/c20-14-3-1-4-16(11-14)24-18-6-2-5-17(12-18)23-15-9-7-13(8-10-15)19(21)22/h1-12,20H,(H,21,22)
InChIKeyMOFVXOQVHXGGER-UHFFFAOYSA-N
XLogP4.68
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-[3-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]benzoic acid
CID 142735073
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
benzene-1,3-diol;benzoic acid
CID 53446063
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
[4-(4-hydroxyphenoxy)phenyl]-(3-hydroxyphenyl)methanone
CID 86171733
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401
4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
CID 86184285
4-pyridin-3-yloxybenzoic acid
CID 22261667
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid?
The IUPAC name of 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid (CID 10426260) is 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid.
What is the SMILES notation for 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid?
The canonical SMILES for 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid is O=C(O)c1ccc(Oc2cccc(Oc3cccc(O)c3)c2)cc1.
What is the InChIKey of 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid?
The InChIKey is MOFVXOQVHXGGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c20-14-3-1-4-16(11-14)24-18-6-2-5-17(12-18)23-15-9-7-13(8-10-15)19(21)22/h1-12,20H,(H,21,22).
What are the key properties of 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid?
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid has a molecular weight of 322.32 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid is sourced from PubChem (CID 10426260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).