methyl 2-(3,5-dichlorophenoxy)benzoate

C14H10Cl2O3 — CID 15036758

IUPACmethyl 2-(3,5-dichlorophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c1-18-14(17)12-4-2-3-5-13(12)19-11-7-9(15)6-10(16)8-11/h2-8H,1H3
InChIKeyUSTYSYFATWKNEX-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.57
Rot. Bonds3

About methyl 2-(3,5-dichlorophenoxy)benzoate

methyl 2-(3,5-dichlorophenoxy)benzoate (PubChem CID 15036758) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 2-(3,5-dichlorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichlorophenoxy)benzoate
PubChem CID15036758
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Namemethyl 2-(3,5-dichlorophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c1-18-14(17)12-4-2-3-5-13(12)19-11-7-9(15)6-10(16)8-11/h2-8H,1H3
InChIKeyUSTYSYFATWKNEX-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3,5-dichlorophenoxy)benzoate 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

methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
ethane;methyl 2-methoxybenzoate
CID 178037044
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
methyl 4-amino-2-(3-chlorophenoxy)benzoate
CID 71517872
methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate
CID 2814404
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-amino-3-(3,5-dichlorophenoxy)benzoic acid
CID 115547178
methyl 2-[(3,5-dichlorophenoxy)methoxymethyl]benzoate
CID 71371053
methyl 2-[2-(3,5-dichloroanilino)-2-oxoacetyl]benzoate
CID 10428039
methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate
CID 19430592

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichlorophenoxy)benzoate?
The IUPAC name of methyl 2-(3,5-dichlorophenoxy)benzoate (CID 15036758) is methyl 2-(3,5-dichlorophenoxy)benzoate.
What is the SMILES notation for methyl 2-(3,5-dichlorophenoxy)benzoate?
The canonical SMILES for methyl 2-(3,5-dichlorophenoxy)benzoate is COC(=O)c1ccccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-(3,5-dichlorophenoxy)benzoate?
The InChIKey is USTYSYFATWKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-18-14(17)12-4-2-3-5-13(12)19-11-7-9(15)6-10(16)8-11/h2-8H,1H3.
What are the key properties of methyl 2-(3,5-dichlorophenoxy)benzoate?
methyl 2-(3,5-dichlorophenoxy)benzoate has a molecular weight of 297.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichlorophenoxy)benzoate is sourced from PubChem (CID 15036758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).