1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene

C15H13Cl2IO — CID 114772826

IUPAC1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene
SMILESClc1cccc(C(CI)OCc2ccccc2Cl)c1
InChIInChI=1S/C15H13Cl2IO/c16-13-6-3-5-11(8-13)15(9-18)19-10-12-4-1-2-7-14(12)17/h1-8,15H,9-10H2
InChIKeyMOWJKLRBFAWKNT-UHFFFAOYSA-N
MW407.08 g/mol
LogP5.69
Rot. Bonds5

About 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene

1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene (PubChem CID 114772826) has the molecular formula C15H13Cl2IO and a molecular weight of 407.08 g/mol. Its IUPAC name is 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene
PubChem CID114772826
Molecular FormulaC15H13Cl2IO
Molecular Weight407.08 g/mol
Exact Mass405.94
IUPAC Name1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene
SMILESClc1cccc(C(CI)OCc2ccccc2Cl)c1
InChIInChI=1S/C15H13Cl2IO/c16-13-6-3-5-11(8-13)15(9-18)19-10-12-4-1-2-7-14(12)17/h1-8,15H,9-10H2
InChIKeyMOWJKLRBFAWKNT-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.08
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
CID 63468434
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
1-chloro-3-[1-(3,3-dimethylbutoxy)-2-iodoethyl]benzene
CID 114774490
1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene
CID 165493406
1-chloro-3-(2-iodo-1-propan-2-yloxyethyl)benzene
CID 114772102
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
1-chloro-4-[[2-iodo-1-(3-methoxyphenyl)ethoxy]methyl]benzene
CID 114774472
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
CID 55022331
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene?
The IUPAC name of 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene (CID 114772826) is 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene.
What is the SMILES notation for 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene?
The canonical SMILES for 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene is Clc1cccc(C(CI)OCc2ccccc2Cl)c1.
What is the InChIKey of 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene?
The InChIKey is MOWJKLRBFAWKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2IO/c16-13-6-3-5-11(8-13)15(9-18)19-10-12-4-1-2-7-14(12)17/h1-8,15H,9-10H2.
What are the key properties of 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene?
1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene has a molecular weight of 407.08 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene is sourced from PubChem (CID 114772826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).