1-(1-iodoethenyl)-3-methoxybenzene

C9H9IO — CID 102579416

IUPAC1-(1-iodoethenyl)-3-methoxybenzene
SMILESC=C(I)c1cccc(OC)c1
InChIInChI=1S/C9H9IO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1H2,2H3
InChIKeyREZAHCXEDCDMFV-UHFFFAOYSA-N
MW260.07 g/mol
LogP3.10
Rot. Bonds2

About 1-(1-iodoethenyl)-3-methoxybenzene

1-(1-iodoethenyl)-3-methoxybenzene (PubChem CID 102579416) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is 1-(1-iodoethenyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(1-iodoethenyl)-3-methoxybenzene
PubChem CID102579416
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name1-(1-iodoethenyl)-3-methoxybenzene
SMILESC=C(I)c1cccc(OC)c1
InChIInChI=1S/C9H9IO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1H2,2H3
InChIKeyREZAHCXEDCDMFV-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
1-methoxy-3-(3-methylbut-1-en-2-yl)benzene
CID 86234042
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-methoxy-3-[1-(2-methylphenyl)ethenyl]benzene
CID 102265187
CID 172849383
CID 172849383
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
2-methylideneoxirane;methyl 3-methoxybenzoate
CID 174957498
5-(3-methoxyphenyl)hex-5-en-3-one
CID 143913597

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethenyl)-3-methoxybenzene?
The IUPAC name of 1-(1-iodoethenyl)-3-methoxybenzene (CID 102579416) is 1-(1-iodoethenyl)-3-methoxybenzene.
What is the SMILES notation for 1-(1-iodoethenyl)-3-methoxybenzene?
The canonical SMILES for 1-(1-iodoethenyl)-3-methoxybenzene is C=C(I)c1cccc(OC)c1.
What is the InChIKey of 1-(1-iodoethenyl)-3-methoxybenzene?
The InChIKey is REZAHCXEDCDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1H2,2H3.
What are the key properties of 1-(1-iodoethenyl)-3-methoxybenzene?
1-(1-iodoethenyl)-3-methoxybenzene has a molecular weight of 260.07 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethenyl)-3-methoxybenzene is sourced from PubChem (CID 102579416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).