1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene

C10H11IO — CID 135075727

IUPAC1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/CI)cc1
InChIInChI=1S/C10H11IO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,8H2,1H3/b3-2+
InChIKeyGSDRNTRRIDMGHI-NSCUHMNNSA-N
MW274.10 g/mol
LogP3.14
Rot. Bonds3

About 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene

1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene (PubChem CID 135075727) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
PubChem CID135075727
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/CI)cc1
InChIInChI=1S/C10H11IO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,8H2,1H3/b3-2+
InChIKeyGSDRNTRRIDMGHI-NSCUHMNNSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
CID 14919714
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
CID 54162111
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
[(Z)-3-(4-methoxyphenyl)prop-2-enyl]-tri(propan-2-yl)silane
CID 134949359

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene (CID 135075727) is 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene is COc1ccc(/C=C/CI)cc1.
What is the InChIKey of 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene?
The InChIKey is GSDRNTRRIDMGHI-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11IO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene?
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene has a molecular weight of 274.10 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 135075727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).