5-(4-phenoxyphenoxy)pentanoic acid

C17H18O4 — CID 28971699

IUPAC5-(4-phenoxyphenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c18-17(19)8-4-5-13-20-14-9-11-16(12-10-14)21-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19)
InChIKeyHEGLZGRVZIXUEB-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.11
Rot. Bonds8

About 5-(4-phenoxyphenoxy)pentanoic acid

5-(4-phenoxyphenoxy)pentanoic acid (PubChem CID 28971699) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(4-phenoxyphenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(4-phenoxyphenoxy)pentanoic acid
PubChem CID28971699
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name5-(4-phenoxyphenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c18-17(19)8-4-5-13-20-14-9-11-16(12-10-14)21-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19)
InChIKeyHEGLZGRVZIXUEB-UHFFFAOYSA-N
XLogP4.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenoxy)pentanoic acid?
The IUPAC name of 5-(4-phenoxyphenoxy)pentanoic acid (CID 28971699) is 5-(4-phenoxyphenoxy)pentanoic acid.
What is the SMILES notation for 5-(4-phenoxyphenoxy)pentanoic acid?
The canonical SMILES for 5-(4-phenoxyphenoxy)pentanoic acid is O=C(O)CCCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-(4-phenoxyphenoxy)pentanoic acid?
The InChIKey is HEGLZGRVZIXUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c18-17(19)8-4-5-13-20-14-9-11-16(12-10-14)21-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19).
What are the key properties of 5-(4-phenoxyphenoxy)pentanoic acid?
5-(4-phenoxyphenoxy)pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenoxy)pentanoic acid is sourced from PubChem (CID 28971699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).