1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene

C12H15IO — CID 89186297

IUPAC1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene
SMILESCOCCC/C=C/c1cccc(I)c1
InChIInChI=1S/C12H15IO/c1-14-9-4-2-3-6-11-7-5-8-12(13)10-11/h3,5-8,10H,2,4,9H2,1H3/b6-3+
InChIKeyRXDCDWQDYSUASR-ZZXKWVIFSA-N
MW302.16 g/mol
LogP3.73
Rot. Bonds5

About 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene

1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene (PubChem CID 89186297) has the molecular formula C12H15IO and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene.

Molecular Properties

Compound Name1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene
PubChem CID89186297
Molecular FormulaC12H15IO
Molecular Weight302.16 g/mol
Exact Mass302.02
IUPAC Name1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene
SMILESCOCCC/C=C/c1cccc(I)c1
InChIInChI=1S/C12H15IO/c1-14-9-4-2-3-6-11-7-5-8-12(13)10-11/h3,5-8,10H,2,4,9H2,1H3/b6-3+
InChIKeyRXDCDWQDYSUASR-ZZXKWVIFSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene
CID 143806753
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CID 143867253
3-[(E)-hex-1-enyl]phenol
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ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine
CID 143822098
4-(3-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598026
5-ethoxypent-1-enylbenzene
CID 54285670
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737
1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 58915425
1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103179889
5-phenoxypent-1-enylbenzene
CID 173201484
6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid
CID 139922099
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CID 89406266

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene?
The IUPAC name of 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene (CID 89186297) is 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene.
What is the SMILES notation for 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene?
The canonical SMILES for 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene is COCCC/C=C/c1cccc(I)c1.
What is the InChIKey of 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene?
The InChIKey is RXDCDWQDYSUASR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H15IO/c1-14-9-4-2-3-6-11-7-5-8-12(13)10-11/h3,5-8,10H,2,4,9H2,1H3/b6-3+.
What are the key properties of 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene?
1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene has a molecular weight of 302.16 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[(E)-5-methoxypent-1-enyl]benzene is sourced from PubChem (CID 89186297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).