1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene

C13H17IO — CID 23455715

IUPAC1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene
SMILESCOc1ccc(CC/C=C/CCI)cc1
InChIInChI=1S/C13H17IO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h2-3,7-10H,4-6,11H2,1H3/b3-2+
InChIKeyJQMCWZYOJIPBDN-NSCUHMNNSA-N
MW316.18 g/mol
LogP4.01
Rot. Bonds6

About 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene

1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene (PubChem CID 23455715) has the molecular formula C13H17IO and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene
PubChem CID23455715
Molecular FormulaC13H17IO
Molecular Weight316.18 g/mol
Exact Mass316.03
IUPAC Name1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene
SMILESCOc1ccc(CC/C=C/CCI)cc1
InChIInChI=1S/C13H17IO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h2-3,7-10H,4-6,11H2,1H3/b3-2+
InChIKeyJQMCWZYOJIPBDN-NSCUHMNNSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
4-(6-iodohex-3-enyl)-N,N-dimethylaniline
CID 54112436
(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol
CID 22760095
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
1-but-3-enyl-4-methoxybenzene
CID 164669650
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide
CID 23455674
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
[(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
CID 101430647
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene (CID 23455715) is 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene is COc1ccc(CC/C=C/CCI)cc1.
What is the InChIKey of 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene?
The InChIKey is JQMCWZYOJIPBDN-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H17IO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h2-3,7-10H,4-6,11H2,1H3/b3-2+.
What are the key properties of 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene?
1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene has a molecular weight of 316.18 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene is sourced from PubChem (CID 23455715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).