(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate

C20H14Cl2O3 — CID 7959580

IUPAC(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate
SMILESO=C(COc1ccccc1-c1ccccc1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H14Cl2O3/c21-17-11-10-15(12-18(17)22)25-20(23)13-24-19-9-5-4-8-16(19)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyYBYUSNQPRQWAET-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.64
Rot. Bonds5

About (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate

(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate (PubChem CID 7959580) has the molecular formula C20H14Cl2O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate
PubChem CID7959580
Molecular FormulaC20H14Cl2O3
Molecular Weight373.24 g/mol
Exact Mass372.03
IUPAC Name(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate
SMILESO=C(COc1ccccc1-c1ccccc1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H14Cl2O3/c21-17-11-10-15(12-18(17)22)25-20(23)13-24-19-9-5-4-8-16(19)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyYBYUSNQPRQWAET-UHFFFAOYSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate
CID 7921102
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
CID 7937359
1,3-benzodioxol-5-yl 2-(2-phenylphenoxy)acetate
CID 8766460
(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
CID 7741121
(2-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010693
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
(2-phenylphenyl) 2-(3-methylphenoxy)acetate
CID 922978
(4-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010692
naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate
CID 18204972
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
1,3-benzodioxol-5-yl 2-(2-chlorophenoxy)acetate
CID 8766455
(4-chloro-3-ethylphenyl) 2-(2-nitrophenoxy)acetate
CID 8920644

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate?
The IUPAC name of (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate (CID 7959580) is (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate?
The canonical SMILES for (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate is O=C(COc1ccccc1-c1ccccc1)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate?
The InChIKey is YBYUSNQPRQWAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O3/c21-17-11-10-15(12-18(17)22)25-20(23)13-24-19-9-5-4-8-16(19)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate?
(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate has a molecular weight of 373.24 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 7959580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).