2-(2-phenoxyphenoxy)pent-2-enoic acid

C17H16O4 — CID 70588230

IUPAC2-(2-phenoxyphenoxy)pent-2-enoic acid
SMILESCCC=C(Oc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C17H16O4/c1-2-8-16(17(18)19)21-15-12-7-6-11-14(15)20-13-9-4-3-5-10-13/h3-12H,2H2,1H3,(H,18,19)
InChIKeyBBIOSKMAOXXGCN-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.24
Rot. Bonds6

About 2-(2-phenoxyphenoxy)pent-2-enoic acid

2-(2-phenoxyphenoxy)pent-2-enoic acid (PubChem CID 70588230) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2-phenoxyphenoxy)pent-2-enoic acid.

Molecular Properties

Compound Name2-(2-phenoxyphenoxy)pent-2-enoic acid
PubChem CID70588230
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(2-phenoxyphenoxy)pent-2-enoic acid
SMILESCCC=C(Oc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C17H16O4/c1-2-8-16(17(18)19)21-15-12-7-6-11-14(15)20-13-9-4-3-5-10-13/h3-12H,2H2,1H3,(H,18,19)
InChIKeyBBIOSKMAOXXGCN-UHFFFAOYSA-N
XLogP4.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyphenoxy)pent-2-enoic acid?
The IUPAC name of 2-(2-phenoxyphenoxy)pent-2-enoic acid (CID 70588230) is 2-(2-phenoxyphenoxy)pent-2-enoic acid.
What is the SMILES notation for 2-(2-phenoxyphenoxy)pent-2-enoic acid?
The canonical SMILES for 2-(2-phenoxyphenoxy)pent-2-enoic acid is CCC=C(Oc1ccccc1Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxyphenoxy)pent-2-enoic acid?
The InChIKey is BBIOSKMAOXXGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-8-16(17(18)19)21-15-12-7-6-11-14(15)20-13-9-4-3-5-10-13/h3-12H,2H2,1H3,(H,18,19).
What are the key properties of 2-(2-phenoxyphenoxy)pent-2-enoic acid?
2-(2-phenoxyphenoxy)pent-2-enoic acid has a molecular weight of 284.31 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyphenoxy)pent-2-enoic acid is sourced from PubChem (CID 70588230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).