4-iodo-2-(3-methoxypropoxy)-1-methylbenzene

C11H15IO2 — CID 143499905

IUPAC4-iodo-2-(3-methoxypropoxy)-1-methylbenzene
SMILESCOCCCOc1cc(I)ccc1C
InChIInChI=1S/C11H15IO2/c1-9-4-5-10(12)8-11(9)14-7-3-6-13-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyDIUVOZPVDLCBAU-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.01
Rot. Bonds5

About 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene

4-iodo-2-(3-methoxypropoxy)-1-methylbenzene (PubChem CID 143499905) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene.

Molecular Properties

Compound Name4-iodo-2-(3-methoxypropoxy)-1-methylbenzene
PubChem CID143499905
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name4-iodo-2-(3-methoxypropoxy)-1-methylbenzene
SMILESCOCCCOc1cc(I)ccc1C
InChIInChI=1S/C11H15IO2/c1-9-4-5-10(12)8-11(9)14-7-3-6-13-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyDIUVOZPVDLCBAU-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(5-iodo-2-methylphenoxy)propylsilane
CID 162065342
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
2-(5-iodo-2-methylphenoxy)acetonitrile
CID 130741781
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
3-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzoic acid
CID 103177358
4-(3-methoxypropoxy)-3-methylaniline
CID 26190033
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one
CID 70830480
5-iodo-2-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408924
3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene?
The IUPAC name of 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene (CID 143499905) is 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene.
What is the SMILES notation for 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene?
The canonical SMILES for 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene is COCCCOc1cc(I)ccc1C.
What is the InChIKey of 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene?
The InChIKey is DIUVOZPVDLCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-9-4-5-10(12)8-11(9)14-7-3-6-13-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene?
4-iodo-2-(3-methoxypropoxy)-1-methylbenzene has a molecular weight of 306.14 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(3-methoxypropoxy)-1-methylbenzene is sourced from PubChem (CID 143499905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).