1-[(E)-but-2-enoxy]-4-iodobenzene

C10H11IO — CID 87803030

IUPAC1-[(E)-but-2-enoxy]-4-iodobenzene
SMILESC/C=C/COc1ccc(I)cc1
InChIInChI=1S/C10H11IO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-7H,8H2,1H3/b3-2+
InChIKeyDGEKPXGSGQSFBW-NSCUHMNNSA-N
MW274.10 g/mol
LogP3.25
Rot. Bonds3

About 1-[(E)-but-2-enoxy]-4-iodobenzene

1-[(E)-but-2-enoxy]-4-iodobenzene (PubChem CID 87803030) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-4-iodobenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-4-iodobenzene
PubChem CID87803030
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name1-[(E)-but-2-enoxy]-4-iodobenzene
SMILESC/C=C/COc1ccc(I)cc1
InChIInChI=1S/C10H11IO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-7H,8H2,1H3/b3-2+
InChIKeyDGEKPXGSGQSFBW-NSCUHMNNSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-2-enoxybenzene
CID 564963
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
4-[(E)-but-2-enoxy]benzonitrile
CID 24709745
[4-[(Z)-but-2-enoxy]phenyl]boronic acid
CID 99880540
2,5-bis(4-but-2-enoxyphenyl)thiophene
CID 54197936
sodium 4-but-2-enoxybenzenesulfonate
CID 141464024
4-[4-[(E)-but-2-enoxy]phenyl]benzonitrile
CID 70154357
(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
CID 78934082
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
5-[(E)-but-2-enoxy]-2-fluoropyridine
CID 115371580
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60879766

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-4-iodobenzene?
The IUPAC name of 1-[(E)-but-2-enoxy]-4-iodobenzene (CID 87803030) is 1-[(E)-but-2-enoxy]-4-iodobenzene.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-4-iodobenzene?
The canonical SMILES for 1-[(E)-but-2-enoxy]-4-iodobenzene is C/C=C/COc1ccc(I)cc1.
What is the InChIKey of 1-[(E)-but-2-enoxy]-4-iodobenzene?
The InChIKey is DGEKPXGSGQSFBW-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11IO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-7H,8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enoxy]-4-iodobenzene?
1-[(E)-but-2-enoxy]-4-iodobenzene has a molecular weight of 274.10 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-4-iodobenzene is sourced from PubChem (CID 87803030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).