1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene

C14H20IO- — CID 171097752

IUPAC1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene
SMILESCOc1ccccc1C([I-]C)C1CCCC1
InChIInChI=1S/C14H20IO/c1-15-14(11-7-3-4-8-11)12-9-5-6-10-13(12)16-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3/q-1
InChIKeyXKLXLXQRMUJSCC-UHFFFAOYSA-N
MW331.22 g/mol
LogP0.65
Rot. Bonds4

About 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene

1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene (PubChem CID 171097752) has the molecular formula C14H20IO- and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene
PubChem CID171097752
Molecular FormulaC14H20IO-
Molecular Weight331.22 g/mol
Exact Mass331.06
IUPAC Name1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene
SMILESCOc1ccccc1C([I-]C)C1CCCC1
InChIInChI=1S/C14H20IO/c1-15-14(11-7-3-4-8-11)12-9-5-6-10-13(12)16-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3/q-1
InChIKeyXKLXLXQRMUJSCC-UHFFFAOYSA-N
XLogP0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 50.65
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

(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
CID 82087243
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene?
The IUPAC name of 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene (CID 171097752) is 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene.
What is the SMILES notation for 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene?
The canonical SMILES for 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene is COc1ccccc1C([I-]C)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene?
The InChIKey is XKLXLXQRMUJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IO/c1-15-14(11-7-3-4-8-11)12-9-5-6-10-13(12)16-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3/q-1.
What are the key properties of 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene?
1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene has a molecular weight of 331.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene is sourced from PubChem (CID 171097752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).