methyl 4-(2,4-dichlorophenoxy)benzoate

C14H10Cl2O3 — CID 28911715

IUPACmethyl 4-(2,4-dichlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2O3/c1-18-14(17)9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)16/h2-8H,1H3
InChIKeyFQISYEGBHLIYPS-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.57
Rot. Bonds3

About methyl 4-(2,4-dichlorophenoxy)benzoate

methyl 4-(2,4-dichlorophenoxy)benzoate (PubChem CID 28911715) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 4-(2,4-dichlorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dichlorophenoxy)benzoate
PubChem CID28911715
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Namemethyl 4-(2,4-dichlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2O3/c1-18-14(17)9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)16/h2-8H,1H3
InChIKeyFQISYEGBHLIYPS-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

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Related Compounds

methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
CID 20648456
methyl 3-bromo-4-(4-chlorophenoxy)benzoate
CID 66666627
1-[4-(2,4-dichlorophenoxy)phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 2806224
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dichlorophenoxy)benzoate?
The IUPAC name of methyl 4-(2,4-dichlorophenoxy)benzoate (CID 28911715) is methyl 4-(2,4-dichlorophenoxy)benzoate.
What is the SMILES notation for methyl 4-(2,4-dichlorophenoxy)benzoate?
The canonical SMILES for methyl 4-(2,4-dichlorophenoxy)benzoate is COC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl 4-(2,4-dichlorophenoxy)benzoate?
The InChIKey is FQISYEGBHLIYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-18-14(17)9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)16/h2-8H,1H3.
What are the key properties of methyl 4-(2,4-dichlorophenoxy)benzoate?
methyl 4-(2,4-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 4-(2,4-dichlorophenoxy)benzoate is sourced from PubChem (CID 28911715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).