2-(3-phenoxyphenoxy)acetate

C14H11O4- — CID 22411603

IUPAC2-(3-phenoxyphenoxy)acetate
SMILESO=C([O-])COc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12O4/c15-14(16)10-17-12-7-4-8-13(9-12)18-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)/p-1
InChIKeyGYOBTWNKHXAGNK-UHFFFAOYSA-M
MW243.24 g/mol
LogP1.61
Rot. Bonds5

About 2-(3-phenoxyphenoxy)acetate

2-(3-phenoxyphenoxy)acetate (PubChem CID 22411603) has the molecular formula C14H11O4- and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(3-phenoxyphenoxy)acetate.

Molecular Properties

Compound Name2-(3-phenoxyphenoxy)acetate
PubChem CID22411603
Molecular FormulaC14H11O4-
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name2-(3-phenoxyphenoxy)acetate
SMILESO=C([O-])COc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12O4/c15-14(16)10-17-12-7-4-8-13(9-12)18-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)/p-1
InChIKeyGYOBTWNKHXAGNK-UHFFFAOYSA-M
XLogP1.61
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-phenoxyphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 2-(3-chlorophenoxy)acetate
CID 19205694
sodium 2-(3-bromophenoxy)acetate
CID 19205570
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753
2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
CID 9058737
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate
CID 21101234

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenoxy)acetate?
The IUPAC name of 2-(3-phenoxyphenoxy)acetate (CID 22411603) is 2-(3-phenoxyphenoxy)acetate.
What is the SMILES notation for 2-(3-phenoxyphenoxy)acetate?
The canonical SMILES for 2-(3-phenoxyphenoxy)acetate is O=C([O-])COc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-phenoxyphenoxy)acetate?
The InChIKey is GYOBTWNKHXAGNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O4/c15-14(16)10-17-12-7-4-8-13(9-12)18-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)/p-1.
What are the key properties of 2-(3-phenoxyphenoxy)acetate?
2-(3-phenoxyphenoxy)acetate has a molecular weight of 243.24 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenoxy)acetate is sourced from PubChem (CID 22411603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).