(3,4-dichlorophenyl)methyl 2-iodobenzoate

C14H9Cl2IO2 — CID 9291865

IUPAC(3,4-dichlorophenyl)methyl 2-iodobenzoate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1I
InChIInChI=1S/C14H9Cl2IO2/c15-11-6-5-9(7-12(11)16)8-19-14(18)10-3-1-2-4-13(10)17/h1-7H,8H2
InChIKeyFDMGEZMQPZYHQV-UHFFFAOYSA-N
MW407.03 g/mol
LogP4.95
Rot. Bonds3

About (3,4-dichlorophenyl)methyl 2-iodobenzoate

(3,4-dichlorophenyl)methyl 2-iodobenzoate (PubChem CID 9291865) has the molecular formula C14H9Cl2IO2 and a molecular weight of 407.03 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-iodobenzoate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-iodobenzoate
PubChem CID9291865
Molecular FormulaC14H9Cl2IO2
Molecular Weight407.03 g/mol
Exact Mass405.90
IUPAC Name(3,4-dichlorophenyl)methyl 2-iodobenzoate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1I
InChIInChI=1S/C14H9Cl2IO2/c15-11-6-5-9(7-12(11)16)8-19-14(18)10-3-1-2-4-13(10)17/h1-7H,8H2
InChIKeyFDMGEZMQPZYHQV-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

(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
CID 2445979
(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 7997154
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate
CID 8601845
(2-chloro-4-nitrophenyl)methyl 2-iodobenzoate
CID 2977171
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
CID 1337088
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-iodobenzoate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-iodobenzoate (CID 9291865) is (3,4-dichlorophenyl)methyl 2-iodobenzoate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-iodobenzoate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-iodobenzoate is O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1I.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-iodobenzoate?
The InChIKey is FDMGEZMQPZYHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IO2/c15-11-6-5-9(7-12(11)16)8-19-14(18)10-3-1-2-4-13(10)17/h1-7H,8H2.
What are the key properties of (3,4-dichlorophenyl)methyl 2-iodobenzoate?
(3,4-dichlorophenyl)methyl 2-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 (3,4-dichlorophenyl)methyl 2-iodobenzoate is sourced from PubChem (CID 9291865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).