(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate

C22H18Cl2O4 — CID 126186183

IUPAC(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
SMILESCOc1ccccc1OCc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H18Cl2O4/c1-26-20-4-2-3-5-21(20)27-13-15-6-8-16(9-7-15)22(25)28-14-17-10-11-18(23)12-19(17)24/h2-12H,13-14H2,1H3
InChIKeyPVFKVUPNCPTUME-UHFFFAOYSA-N
MW417.29 g/mol
LogP5.94
Rot. Bonds7

About (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate

(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate (PubChem CID 126186183) has the molecular formula C22H18Cl2O4 and a molecular weight of 417.29 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
PubChem CID126186183
Molecular FormulaC22H18Cl2O4
Molecular Weight417.29 g/mol
Exact Mass416.06
IUPAC Name(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
SMILESCOc1ccccc1OCc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H18Cl2O4/c1-26-20-4-2-3-5-21(20)27-13-15-6-8-16(9-7-15)22(25)28-14-17-10-11-18(23)12-19(17)24/h2-12H,13-14H2,1H3
InChIKeyPVFKVUPNCPTUME-UHFFFAOYSA-N
XLogP5.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.29
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 4031936
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152
[3-(trifluoromethyl)phenyl]methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 2409828
(2,4-dichlorophenyl)methyl 4-iodobenzoate
CID 2387646
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
3-[(2,4-dichlorophenyl)methoxy]-4-methoxybenzenecarbothioamide
CID 20991411
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126188436
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 23822412
(2,4-dichlorophenyl)methyl 3-amino-4-chlorobenzoate
CID 16578139
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126321572
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate?
The IUPAC name of (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate (CID 126186183) is (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate is COc1ccccc1OCc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate?
The InChIKey is PVFKVUPNCPTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2O4/c1-26-20-4-2-3-5-21(20)27-13-15-6-8-16(9-7-15)22(25)28-14-17-10-11-18(23)12-19(17)24/h2-12H,13-14H2,1H3.
What are the key properties of (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate?
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate has a molecular weight of 417.29 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate is sourced from PubChem (CID 126186183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).