1-(1-iodoprop-2-enoxy)-4-methylbenzene

C10H11IO — CID 134463501

IUPAC1-(1-iodoprop-2-enoxy)-4-methylbenzene
SMILESC=CC(I)Oc1ccc(C)cc1
InChIInChI=1S/C10H11IO/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7,10H,1H2,2H3
InChIKeyIWVUTCJVINWOKT-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.32
Rot. Bonds3

About 1-(1-iodoprop-2-enoxy)-4-methylbenzene

1-(1-iodoprop-2-enoxy)-4-methylbenzene (PubChem CID 134463501) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-(1-iodoprop-2-enoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-iodoprop-2-enoxy)-4-methylbenzene
PubChem CID134463501
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name1-(1-iodoprop-2-enoxy)-4-methylbenzene
SMILESC=CC(I)Oc1ccc(C)cc1
InChIInChI=1S/C10H11IO/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7,10H,1H2,2H3
InChIKeyIWVUTCJVINWOKT-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.32
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

iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332
1-but-3-en-2-yl-4-methylbenzene;ruthenium
CID 175031395
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
CID 578552
1-(diethoxymethoxy)-4-methylbenzene
CID 86206447
1-methyl-4-penta-1,3-dien-3-yloxybenzene
CID 123811564
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57059060
3,3-bis(4-methylphenoxy)propylphosphane
CID 155662806
1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene
CID 70042387

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoprop-2-enoxy)-4-methylbenzene?
The IUPAC name of 1-(1-iodoprop-2-enoxy)-4-methylbenzene (CID 134463501) is 1-(1-iodoprop-2-enoxy)-4-methylbenzene.
What is the SMILES notation for 1-(1-iodoprop-2-enoxy)-4-methylbenzene?
The canonical SMILES for 1-(1-iodoprop-2-enoxy)-4-methylbenzene is C=CC(I)Oc1ccc(C)cc1.
What is the InChIKey of 1-(1-iodoprop-2-enoxy)-4-methylbenzene?
The InChIKey is IWVUTCJVINWOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7,10H,1H2,2H3.
What are the key properties of 1-(1-iodoprop-2-enoxy)-4-methylbenzene?
1-(1-iodoprop-2-enoxy)-4-methylbenzene has a molecular weight of 274.10 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoprop-2-enoxy)-4-methylbenzene is sourced from PubChem (CID 134463501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).