1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene

C12H17IO3 — CID 103179889

IUPAC1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
SMILESCOCCCOCCOc1cccc(I)c1
InChIInChI=1S/C12H17IO3/c1-14-6-3-7-15-8-9-16-12-5-2-4-11(13)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyXXDROVHQEWQDPY-UHFFFAOYSA-N
MW336.17 g/mol
LogP2.72
Rot. Bonds8

About 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene

1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene (PubChem CID 103179889) has the molecular formula C12H17IO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
PubChem CID103179889
Molecular FormulaC12H17IO3
Molecular Weight336.17 g/mol
Exact Mass336.02
IUPAC Name1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
SMILESCOCCCOCCOc1cccc(I)c1
InChIInChI=1S/C12H17IO3/c1-14-6-3-7-15-8-9-16-12-5-2-4-11(13)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyXXDROVHQEWQDPY-UHFFFAOYSA-N
XLogP2.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900
3-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936296
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene?
The IUPAC name of 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene (CID 103179889) is 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene.
What is the SMILES notation for 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene?
The canonical SMILES for 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene is COCCCOCCOc1cccc(I)c1.
What is the InChIKey of 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene?
The InChIKey is XXDROVHQEWQDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO3/c1-14-6-3-7-15-8-9-16-12-5-2-4-11(13)10-12/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene?
1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene has a molecular weight of 336.17 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene is sourced from PubChem (CID 103179889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).