methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate

C17H15Cl3O4 — CID 91682249

IUPACmethyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3O4/c1-3-23-15-7-11(17(21)22-2)6-14(20)16(15)24-9-10-4-5-12(18)8-13(10)19/h4-8H,3,9H2,1-2H3
InChIKeyWUOHEBDKKMUUID-UHFFFAOYSA-N
MW389.66 g/mol
LogP5.41
Rot. Bonds6

About methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate

methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate (PubChem CID 91682249) has the molecular formula C17H15Cl3O4 and a molecular weight of 389.66 g/mol. Its IUPAC name is methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
PubChem CID91682249
Molecular FormulaC17H15Cl3O4
Molecular Weight389.66 g/mol
Exact Mass388.00
IUPAC Namemethyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3O4/c1-3-23-15-7-11(17(21)22-2)6-14(20)16(15)24-9-10-4-5-12(18)8-13(10)19/h4-8H,3,9H2,1-2H3
InChIKeyWUOHEBDKKMUUID-UHFFFAOYSA-N
XLogP5.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.66
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
4-[[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 4720800
3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]prop-2-enoic acid
CID 171146613
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoic acid
CID 91682258
3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzonitrile
CID 19618012
prop-2-enyl 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoate
CID 91682255
2-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-3-methylbutanoic acid
CID 66527607
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126123231
3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 91685911
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate?
The IUPAC name of methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate (CID 91682249) is methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate.
What is the SMILES notation for methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate?
The canonical SMILES for methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate is CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate?
The InChIKey is WUOHEBDKKMUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3O4/c1-3-23-15-7-11(17(21)22-2)6-14(20)16(15)24-9-10-4-5-12(18)8-13(10)19/h4-8H,3,9H2,1-2H3.
What are the key properties of methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate?
methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate has a molecular weight of 389.66 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate is sourced from PubChem (CID 91682249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).