4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid

C19H22O5 — CID 71331211

IUPAC4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCCCCCOc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O5/c20-16-7-11-18(12-8-16)24-14-4-2-1-3-13-23-17-9-5-15(6-10-17)19(21)22/h5-12,20H,1-4,13-14H2,(H,21,22)
InChIKeyCEPJAAHVQOLBJD-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.11
Rot. Bonds10

About 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid

4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid (PubChem CID 71331211) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
PubChem CID71331211
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCCCCCOc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O5/c20-16-7-11-18(12-8-16)24-14-4-2-1-3-13-23-17-9-5-15(6-10-17)19(21)22/h5-12,20H,1-4,13-14H2,(H,21,22)
InChIKeyCEPJAAHVQOLBJD-UHFFFAOYSA-N
XLogP4.11
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxybutoxy)benzoic acid
CID 15218596
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
2-[10-[4-(4-hydroxyphenyl)phenoxy]decoxy]terephthalic acid
CID 100915852
benzene-1,4-diol;bis(4-(5-oxohept-6-enoxy)benzoic acid)
CID 66810622
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-(11-amino-11-oxoundecoxy)benzoic acid
CID 141366511
ethane;4-octoxybenzoic acid
CID 144740890
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
4-[10-[10-(10-bromodecoxy)decoxy]decoxy]benzoic acid
CID 86092221
4-(16-oxohexadecoxy)benzoic acid
CID 87286293
4-butan-2-ylphenol;4-butoxybenzoic acid;4-butoxyphenol;4-decoxybenzoic acid;4-heptoxybenzoic acid;4-propoxybenzoic acid
CID 158403719

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid?
The IUPAC name of 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid (CID 71331211) is 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid.
What is the SMILES notation for 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid?
The canonical SMILES for 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid is O=C(O)c1ccc(OCCCCCCOc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid?
The InChIKey is CEPJAAHVQOLBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c20-16-7-11-18(12-8-16)24-14-4-2-1-3-13-23-17-9-5-15(6-10-17)19(21)22/h5-12,20H,1-4,13-14H2,(H,21,22).
What are the key properties of 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid?
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid has a molecular weight of 330.38 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid is sourced from PubChem (CID 71331211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).