1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene

C11H13IO2 — CID 57408009

IUPAC1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COC/C=C\I)cc1
InChIInChI=1S/C11H13IO2/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h2-7H,8-9H2,1H3/b7-2-
InChIKeyQGKDGLUWMWTACD-UQCOIBPSSA-N
MW304.13 g/mol
LogP3.16
Rot. Bonds5

About 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene

1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene (PubChem CID 57408009) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
PubChem CID57408009
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COC/C=C\I)cc1
InChIInChI=1S/C11H13IO2/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h2-7H,8-9H2,1H3/b7-2-
InChIKeyQGKDGLUWMWTACD-UQCOIBPSSA-N
XLogP3.16
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 ≤ 53.16
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

1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
CID 11174476
(E)-6-[(4-methoxyphenyl)methoxy]-3,3-dimethylhex-4-en-2-one
CID 58932908
4-[(4-methoxyphenyl)methoxy]but-2-enyl butanoate
CID 150190226
[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
CID 101184767
[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate
CID 140503961
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
(1Z,3S,6E)-1-iodo-8-[(4-methoxyphenyl)methoxy]-2,6-dimethylocta-1,6-dien-3-ol
CID 102467318
2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
CID 140835234
1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene
CID 11265980

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene?
The IUPAC name of 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene (CID 57408009) is 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene?
The canonical SMILES for 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene is COc1ccc(COC/C=C\I)cc1.
What is the InChIKey of 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene?
The InChIKey is QGKDGLUWMWTACD-UQCOIBPSSA-N. The full InChI is InChI=1S/C11H13IO2/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h2-7H,8-9H2,1H3/b7-2-.
What are the key properties of 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene?
1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene has a molecular weight of 304.13 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene is sourced from PubChem (CID 57408009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).