2-cyclopentyloxy-4-iodo-1-methoxybenzene

C12H15IO2 — CID 11197924

IUPAC2-cyclopentyloxy-4-iodo-1-methoxybenzene
SMILESCOc1ccc(I)cc1OC1CCCC1
InChIInChI=1S/C12H15IO2/c1-14-11-7-6-9(13)8-12(11)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyPKKPMWYQSGLAPB-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.62
Rot. Bonds3

About 2-cyclopentyloxy-4-iodo-1-methoxybenzene

2-cyclopentyloxy-4-iodo-1-methoxybenzene (PubChem CID 11197924) has the molecular formula C12H15IO2 and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-iodo-1-methoxybenzene.

Molecular Properties

Compound Name2-cyclopentyloxy-4-iodo-1-methoxybenzene
PubChem CID11197924
Molecular FormulaC12H15IO2
Molecular Weight318.15 g/mol
Exact Mass318.01
IUPAC Name2-cyclopentyloxy-4-iodo-1-methoxybenzene
SMILESCOc1ccc(I)cc1OC1CCCC1
InChIInChI=1S/C12H15IO2/c1-14-11-7-6-9(13)8-12(11)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyPKKPMWYQSGLAPB-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
CID 150912606
2-cyclopentyloxy-5-iodobenzoic acid
CID 82995934
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-iodo-1-methoxybenzene?
The IUPAC name of 2-cyclopentyloxy-4-iodo-1-methoxybenzene (CID 11197924) is 2-cyclopentyloxy-4-iodo-1-methoxybenzene.
What is the SMILES notation for 2-cyclopentyloxy-4-iodo-1-methoxybenzene?
The canonical SMILES for 2-cyclopentyloxy-4-iodo-1-methoxybenzene is COc1ccc(I)cc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-4-iodo-1-methoxybenzene?
The InChIKey is PKKPMWYQSGLAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO2/c1-14-11-7-6-9(13)8-12(11)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-cyclopentyloxy-4-iodo-1-methoxybenzene?
2-cyclopentyloxy-4-iodo-1-methoxybenzene has a molecular weight of 318.15 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-iodo-1-methoxybenzene is sourced from PubChem (CID 11197924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).