2-(2-phenoxyphenoxy)but-2-enoic acid

C16H14O4 — CID 70607804

IUPAC2-(2-phenoxyphenoxy)but-2-enoic acid
SMILESCC=C(Oc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C16H14O4/c1-2-13(16(17)18)20-15-11-7-6-10-14(15)19-12-8-4-3-5-9-12/h2-11H,1H3,(H,17,18)
InChIKeyQHIHTYPNWYGVPR-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.85
Rot. Bonds5

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

2-(2-phenoxyphenoxy)but-2-enoic acid (PubChem CID 70607804) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2-phenoxyphenoxy)but-2-enoic acid.

Molecular Properties

Compound Name2-(2-phenoxyphenoxy)but-2-enoic acid
PubChem CID70607804
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(2-phenoxyphenoxy)but-2-enoic acid
SMILESCC=C(Oc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C16H14O4/c1-2-13(16(17)18)20-15-11-7-6-10-14(15)19-12-8-4-3-5-9-12/h2-11H,1H3,(H,17,18)
InChIKeyQHIHTYPNWYGVPR-UHFFFAOYSA-N
XLogP3.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.85
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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Related Compounds

2-(2-phenoxyphenoxy)pent-2-enoic acid
CID 70588230
2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid
CID 70557926
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 154164722
phenyl 2-phenoxybenzoate
CID 2471273
2-hydroxy-2-(2-phenoxyphenyl)propanoic acid
CID 174597683
2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid
CID 139651263
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 70608647
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 54400274
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
(Z)-2-phenoxypent-2-enoic acid
CID 70559179
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyphenoxy)but-2-enoic acid?
The IUPAC name of 2-(2-phenoxyphenoxy)but-2-enoic acid (CID 70607804) is 2-(2-phenoxyphenoxy)but-2-enoic acid.
What is the SMILES notation for 2-(2-phenoxyphenoxy)but-2-enoic acid?
The canonical SMILES for 2-(2-phenoxyphenoxy)but-2-enoic acid is CC=C(Oc1ccccc1Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxyphenoxy)but-2-enoic acid?
The InChIKey is QHIHTYPNWYGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-2-13(16(17)18)20-15-11-7-6-10-14(15)19-12-8-4-3-5-9-12/h2-11H,1H3,(H,17,18).
What are the key properties of 2-(2-phenoxyphenoxy)but-2-enoic acid?
2-(2-phenoxyphenoxy)but-2-enoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyphenoxy)but-2-enoic acid is sourced from PubChem (CID 70607804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).