(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate

C14H8Cl4O2 — CID 2445979

IUPAC(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-9-5-4-8(6-12(9)18)7-20-14(19)13-10(16)2-1-3-11(13)17/h1-6H,7H2
InChIKeyOEPNFCIVWALELJ-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.66
Rot. Bonds3

About (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate

(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate (PubChem CID 2445979) has the molecular formula C14H8Cl4O2 and a molecular weight of 350.03 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
PubChem CID2445979
Molecular FormulaC14H8Cl4O2
Molecular Weight350.03 g/mol
Exact Mass347.93
IUPAC Name(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-9-5-4-8(6-12(9)18)7-20-14(19)13-10(16)2-1-3-11(13)17/h1-6H,7H2
InChIKeyOEPNFCIVWALELJ-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 7997154
(3,4-dichlorophenyl)methyl 2-iodobenzoate
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(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
(3,4-dichlorophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 4593615
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
(3,4-dichlorophenyl)methyl 3-(2-methylpropanoylamino)benzoate
CID 1306190
(4-cyanophenyl)methyl 2-amino-6-chlorobenzoate
CID 63663640
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 7576962

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate (CID 2445979) is (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate is O=C(OCc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate?
The InChIKey is OEPNFCIVWALELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2/c15-9-5-4-8(6-12(9)18)7-20-14(19)13-10(16)2-1-3-11(13)17/h1-6H,7H2.
What are the key properties of (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate?
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate has a molecular weight of 350.03 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate is sourced from PubChem (CID 2445979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).