1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene

C12H13IO — CID 101343344

IUPAC1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene
SMILESCOc1ccc([C@H]2CCC=C2I)cc1
InChIInChI=1S/C12H13IO/c1-14-10-7-5-9(6-8-10)11-3-2-4-12(11)13/h4-8,11H,2-3H2,1H3/t11-/m1/s1
InChIKeyKLMPJAIRGULTAJ-LLVKDONJSA-N
MW300.14 g/mol
LogP3.89
Rot. Bonds2

About 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene

1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene (PubChem CID 101343344) has the molecular formula C12H13IO and a molecular weight of 300.14 g/mol. Its IUPAC name is 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene
PubChem CID101343344
Molecular FormulaC12H13IO
Molecular Weight300.14 g/mol
Exact Mass300.00
IUPAC Name1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene
SMILESCOc1ccc([C@H]2CCC=C2I)cc1
InChIInChI=1S/C12H13IO/c1-14-10-7-5-9(6-8-10)11-3-2-4-12(11)13/h4-8,11H,2-3H2,1H3/t11-/m1/s1
InChIKeyKLMPJAIRGULTAJ-LLVKDONJSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.89
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-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
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(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
3-(4-methoxyphenyl)-6-methyloxan-2-one
CID 70805918
4-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 141294884
2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 172635786
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene?
The IUPAC name of 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene (CID 101343344) is 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene is COc1ccc([C@H]2CCC=C2I)cc1.
What is the InChIKey of 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene?
The InChIKey is KLMPJAIRGULTAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13IO/c1-14-10-7-5-9(6-8-10)11-3-2-4-12(11)13/h4-8,11H,2-3H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene?
1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene has a molecular weight of 300.14 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene is sourced from PubChem (CID 101343344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).