(2,6-dichlorophenyl)methyl 4-iodobenzoate

C14H9Cl2IO2 — CID 2409698

IUPAC(2,6-dichlorophenyl)methyl 4-iodobenzoate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H9Cl2IO2/c15-12-2-1-3-13(16)11(12)8-19-14(18)9-4-6-10(17)7-5-9/h1-7H,8H2
InChIKeySZBAXOCUOFCBKM-UHFFFAOYSA-N
MW407.03 g/mol
LogP4.95
Rot. Bonds3

About (2,6-dichlorophenyl)methyl 4-iodobenzoate

(2,6-dichlorophenyl)methyl 4-iodobenzoate (PubChem CID 2409698) has the molecular formula C14H9Cl2IO2 and a molecular weight of 407.03 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 4-iodobenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 4-iodobenzoate
PubChem CID2409698
Molecular FormulaC14H9Cl2IO2
Molecular Weight407.03 g/mol
Exact Mass405.90
IUPAC Name(2,6-dichlorophenyl)methyl 4-iodobenzoate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H9Cl2IO2/c15-12-2-1-3-13(16)11(12)8-19-14(18)9-4-6-10(17)7-5-9/h1-7H,8H2
InChIKeySZBAXOCUOFCBKM-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.03
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-chlorophenyl)methyl benzoate
CID 134095061
(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
(2,4-dichlorophenyl)methyl 4-iodobenzoate
CID 2387646
(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677110
(2,6-dichlorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91743056
(2,6-dichlorophenyl)methyl 4-amino-3-nitrobenzoate
CID 4651314
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
(2,6-dichlorophenyl)methyl thiophene-2-carboxylate
CID 925952
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117
(2-chloro-1,3-thiazol-5-yl)methyl 4-iodobenzoate
CID 1479754
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 4-iodobenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 4-iodobenzoate (CID 2409698) is (2,6-dichlorophenyl)methyl 4-iodobenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 4-iodobenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 4-iodobenzoate is O=C(OCc1c(Cl)cccc1Cl)c1ccc(I)cc1.
What is the InChIKey of (2,6-dichlorophenyl)methyl 4-iodobenzoate?
The InChIKey is SZBAXOCUOFCBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IO2/c15-12-2-1-3-13(16)11(12)8-19-14(18)9-4-6-10(17)7-5-9/h1-7H,8H2.
What are the key properties of (2,6-dichlorophenyl)methyl 4-iodobenzoate?
(2,6-dichlorophenyl)methyl 4-iodobenzoate has a molecular weight of 407.03 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 4-iodobenzoate is sourced from PubChem (CID 2409698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).