1-but-3-enoxy-2-iodo-4-methoxybenzene

C11H13IO2 — CID 121219828

IUPAC1-but-3-enoxy-2-iodo-4-methoxybenzene
SMILESC=CCCOc1ccc(OC)cc1I
InChIInChI=1S/C11H13IO2/c1-3-4-7-14-11-6-5-9(13-2)8-10(11)12/h3,5-6,8H,1,4,7H2,2H3
InChIKeyKPGBJSMCSDOUQH-UHFFFAOYSA-N
MW304.13 g/mol
LogP3.25
Rot. Bonds5

About 1-but-3-enoxy-2-iodo-4-methoxybenzene

1-but-3-enoxy-2-iodo-4-methoxybenzene (PubChem CID 121219828) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 1-but-3-enoxy-2-iodo-4-methoxybenzene.

Molecular Properties

Compound Name1-but-3-enoxy-2-iodo-4-methoxybenzene
PubChem CID121219828
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name1-but-3-enoxy-2-iodo-4-methoxybenzene
SMILESC=CCCOc1ccc(OC)cc1I
InChIInChI=1S/C11H13IO2/c1-3-4-7-14-11-6-5-9(13-2)8-10(11)12/h3,5-6,8H,1,4,7H2,2H3
InChIKeyKPGBJSMCSDOUQH-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 53.25
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
1-but-3-enoxy-2-methoxybenzene
CID 56629510
anisole;but-3-enoxybenzene
CID 174761838
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(2-hept-6-enoxy-4-methoxyphenyl)methanol
CID 107007477
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
methyl 2-but-3-enoxy-5-methylbenzoate
CID 90317571
1,4-didecoxybenzene;1,4-didecoxy-2-iodobenzene
CID 161204847
1-but-3-enyl-2-ethyl-4-methoxybenzene
CID 83941580
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-2-iodo-4-methoxybenzene?
The IUPAC name of 1-but-3-enoxy-2-iodo-4-methoxybenzene (CID 121219828) is 1-but-3-enoxy-2-iodo-4-methoxybenzene.
What is the SMILES notation for 1-but-3-enoxy-2-iodo-4-methoxybenzene?
The canonical SMILES for 1-but-3-enoxy-2-iodo-4-methoxybenzene is C=CCCOc1ccc(OC)cc1I.
What is the InChIKey of 1-but-3-enoxy-2-iodo-4-methoxybenzene?
The InChIKey is KPGBJSMCSDOUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-3-4-7-14-11-6-5-9(13-2)8-10(11)12/h3,5-6,8H,1,4,7H2,2H3.
What are the key properties of 1-but-3-enoxy-2-iodo-4-methoxybenzene?
1-but-3-enoxy-2-iodo-4-methoxybenzene has a molecular weight of 304.13 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2-iodo-4-methoxybenzene is sourced from PubChem (CID 121219828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).