1-(3-chloropropoxy)-2-iodobenzene

C9H10ClIO — CID 43479699

IUPAC1-(3-chloropropoxy)-2-iodobenzene
SMILESClCCCOc1ccccc1I
InChIInChI=1S/C9H10ClIO/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2
InChIKeyIFCNNHSCVOYBBY-UHFFFAOYSA-N
MW296.53 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-chloropropoxy)-2-iodobenzene

1-(3-chloropropoxy)-2-iodobenzene (PubChem CID 43479699) has the molecular formula C9H10ClIO and a molecular weight of 296.53 g/mol. Its IUPAC name is 1-(3-chloropropoxy)-2-iodobenzene.

Molecular Properties

Compound Name1-(3-chloropropoxy)-2-iodobenzene
PubChem CID43479699
Molecular FormulaC9H10ClIO
Molecular Weight296.53 g/mol
Exact Mass295.95
IUPAC Name1-(3-chloropropoxy)-2-iodobenzene
SMILESClCCCOc1ccccc1I
InChIInChI=1S/C9H10ClIO/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2
InChIKeyIFCNNHSCVOYBBY-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-heptoxy-2-iodobenzene
CID 63530624
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
3-(2-iodophenoxy)propanal
CID 63039119
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-(3-chloropropoxy)naphthalene
CID 12685615
1-(4-chlorobut-2-enoxy)-2-iodobenzene
CID 77051500
1-(2-chloropropoxy)-2-iodobenzene
CID 135222476
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777
2-(3-chloropropoxy)benzonitrile
CID 14407183
1-(2-cyclohexylethoxy)-2-iodobenzene
CID 155907429
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
8-(2-iodophenoxy)oct-5-ynal
CID 11810020

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropoxy)-2-iodobenzene?
The IUPAC name of 1-(3-chloropropoxy)-2-iodobenzene (CID 43479699) is 1-(3-chloropropoxy)-2-iodobenzene.
What is the SMILES notation for 1-(3-chloropropoxy)-2-iodobenzene?
The canonical SMILES for 1-(3-chloropropoxy)-2-iodobenzene is ClCCCOc1ccccc1I.
What is the InChIKey of 1-(3-chloropropoxy)-2-iodobenzene?
The InChIKey is IFCNNHSCVOYBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIO/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2.
What are the key properties of 1-(3-chloropropoxy)-2-iodobenzene?
1-(3-chloropropoxy)-2-iodobenzene has a molecular weight of 296.53 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropoxy)-2-iodobenzene is sourced from PubChem (CID 43479699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).