1-(2-chloropropoxy)-2-iodobenzene

C9H10ClIO — CID 135222476

IUPAC1-(2-chloropropoxy)-2-iodobenzene
SMILESCC(Cl)COc1ccccc1I
InChIInChI=1S/C9H10ClIO/c1-7(10)6-12-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyQJPQJBJCVFIVKE-UHFFFAOYSA-N
MW296.53 g/mol
LogP3.30
Rot. Bonds3

About 1-(2-chloropropoxy)-2-iodobenzene

1-(2-chloropropoxy)-2-iodobenzene (PubChem CID 135222476) has the molecular formula C9H10ClIO and a molecular weight of 296.53 g/mol. Its IUPAC name is 1-(2-chloropropoxy)-2-iodobenzene.

Molecular Properties

Compound Name1-(2-chloropropoxy)-2-iodobenzene
PubChem CID135222476
Molecular FormulaC9H10ClIO
Molecular Weight296.53 g/mol
Exact Mass295.95
IUPAC Name1-(2-chloropropoxy)-2-iodobenzene
SMILESCC(Cl)COc1ccccc1I
InChIInChI=1S/C9H10ClIO/c1-7(10)6-12-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyQJPQJBJCVFIVKE-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 53.30
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-(2,2-dimethoxyethoxy)-2-iodobenzene
CID 66221266
1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
1-bromo-3-(2-iodophenoxy)propan-2-ol
CID 112560670
1-(3-chloropropoxy)-2-iodobenzene
CID 43479699
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene
CID 166446723
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376
3-(2-iodophenoxy)propanal
CID 63039119
diethyl-bis[(2-iodophenoxy)methyl]silane
CID 162772925

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropoxy)-2-iodobenzene?
The IUPAC name of 1-(2-chloropropoxy)-2-iodobenzene (CID 135222476) is 1-(2-chloropropoxy)-2-iodobenzene.
What is the SMILES notation for 1-(2-chloropropoxy)-2-iodobenzene?
The canonical SMILES for 1-(2-chloropropoxy)-2-iodobenzene is CC(Cl)COc1ccccc1I.
What is the InChIKey of 1-(2-chloropropoxy)-2-iodobenzene?
The InChIKey is QJPQJBJCVFIVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIO/c1-7(10)6-12-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2-chloropropoxy)-2-iodobenzene?
1-(2-chloropropoxy)-2-iodobenzene has a molecular weight of 296.53 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropoxy)-2-iodobenzene is sourced from PubChem (CID 135222476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).