4-chloro-1-iodo-2-(4-methylpentoxy)benzene

C12H16ClIO — CID 142659271

IUPAC4-chloro-1-iodo-2-(4-methylpentoxy)benzene
SMILESCC(C)CCCOc1cc(Cl)ccc1I
InChIInChI=1S/C12H16ClIO/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyUECNUXUZDKIMNV-UHFFFAOYSA-N
MW338.62 g/mol
LogP4.76
Rot. Bonds5

About 4-chloro-1-iodo-2-(4-methylpentoxy)benzene

4-chloro-1-iodo-2-(4-methylpentoxy)benzene (PubChem CID 142659271) has the molecular formula C12H16ClIO and a molecular weight of 338.62 g/mol. Its IUPAC name is 4-chloro-1-iodo-2-(4-methylpentoxy)benzene.

Molecular Properties

Compound Name4-chloro-1-iodo-2-(4-methylpentoxy)benzene
PubChem CID142659271
Molecular FormulaC12H16ClIO
Molecular Weight338.62 g/mol
Exact Mass337.99
IUPAC Name4-chloro-1-iodo-2-(4-methylpentoxy)benzene
SMILESCC(C)CCCOc1cc(Cl)ccc1I
InChIInChI=1S/C12H16ClIO/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyUECNUXUZDKIMNV-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
4-chloro-1-iodo-2-propan-2-yloxybenzene
CID 142659279
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
tert-butyl N-[2-(5-chloro-2-iodophenoxy)ethyl]carbamate
CID 175686847
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
CID 62481699
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
4-chloro-2-(chloromethyl)-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 63534668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-iodo-2-(4-methylpentoxy)benzene?
The IUPAC name of 4-chloro-1-iodo-2-(4-methylpentoxy)benzene (CID 142659271) is 4-chloro-1-iodo-2-(4-methylpentoxy)benzene.
What is the SMILES notation for 4-chloro-1-iodo-2-(4-methylpentoxy)benzene?
The canonical SMILES for 4-chloro-1-iodo-2-(4-methylpentoxy)benzene is CC(C)CCCOc1cc(Cl)ccc1I.
What is the InChIKey of 4-chloro-1-iodo-2-(4-methylpentoxy)benzene?
The InChIKey is UECNUXUZDKIMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIO/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-1-iodo-2-(4-methylpentoxy)benzene?
4-chloro-1-iodo-2-(4-methylpentoxy)benzene has a molecular weight of 338.62 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-iodo-2-(4-methylpentoxy)benzene is sourced from PubChem (CID 142659271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).