1-(4-chlorobut-2-enoxy)-2-iodobenzene

C10H10ClIO — CID 77051500

IUPAC1-(4-chlorobut-2-enoxy)-2-iodobenzene
SMILESClCC=CCOc1ccccc1I
InChIInChI=1S/C10H10ClIO/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-6H,7-8H2
InChIKeyMJICNILLPMIACF-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-chlorobut-2-enoxy)-2-iodobenzene

1-(4-chlorobut-2-enoxy)-2-iodobenzene (PubChem CID 77051500) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-(4-chlorobut-2-enoxy)-2-iodobenzene.

Molecular Properties

Compound Name1-(4-chlorobut-2-enoxy)-2-iodobenzene
PubChem CID77051500
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name1-(4-chlorobut-2-enoxy)-2-iodobenzene
SMILESClCC=CCOc1ccccc1I
InChIInChI=1S/C10H10ClIO/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-6H,7-8H2
InChIKeyMJICNILLPMIACF-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.46
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-iodophenoxy)but-2-en-1-amine
CID 77110480
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene
CID 77051712
1-(4-chlorobut-2-enoxy)-2-propan-2-ylbenzene
CID 77051602
(E)-4-(2-iodophenoxy)but-2-enoic acid
CID 62342305
1-(3-chloropropoxy)-2-iodobenzene
CID 43479699
1-[2-[(Z)-4-chlorobut-2-enoxy]phenyl]ethanone
CID 67710478
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
methyl 2-(4-chlorobut-2-enoxy)benzoate
CID 77051271
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-(2-chloropropoxy)-2-iodobenzene
CID 135222476
2,5-bis(4-chlorobut-2-enoxy)cyclohepta-2,4,6-trien-1-one
CID 71371427

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-2-enoxy)-2-iodobenzene?
The IUPAC name of 1-(4-chlorobut-2-enoxy)-2-iodobenzene (CID 77051500) is 1-(4-chlorobut-2-enoxy)-2-iodobenzene.
What is the SMILES notation for 1-(4-chlorobut-2-enoxy)-2-iodobenzene?
The canonical SMILES for 1-(4-chlorobut-2-enoxy)-2-iodobenzene is ClCC=CCOc1ccccc1I.
What is the InChIKey of 1-(4-chlorobut-2-enoxy)-2-iodobenzene?
The InChIKey is MJICNILLPMIACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-6H,7-8H2.
What are the key properties of 1-(4-chlorobut-2-enoxy)-2-iodobenzene?
1-(4-chlorobut-2-enoxy)-2-iodobenzene has a molecular weight of 308.55 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-2-enoxy)-2-iodobenzene is sourced from PubChem (CID 77051500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).