1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene

C13H16ClIO — CID 114772493

IUPAC1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
SMILESClc1ccccc1C(CI)OC1CCCC1
InChIInChI=1S/C13H16ClIO/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9H2
InChIKeyKFMLKCNMWOCJDK-UHFFFAOYSA-N
MW350.63 g/mol
LogP4.78
Rot. Bonds4

About 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene

1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene (PubChem CID 114772493) has the molecular formula C13H16ClIO and a molecular weight of 350.63 g/mol. Its IUPAC name is 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
PubChem CID114772493
Molecular FormulaC13H16ClIO
Molecular Weight350.63 g/mol
Exact Mass349.99
IUPAC Name1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
SMILESClc1ccccc1C(CI)OC1CCCC1
InChIInChI=1S/C13H16ClIO/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9H2
InChIKeyKFMLKCNMWOCJDK-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.63
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene?
The IUPAC name of 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene (CID 114772493) is 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene.
What is the SMILES notation for 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene?
The canonical SMILES for 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene is Clc1ccccc1C(CI)OC1CCCC1.
What is the InChIKey of 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene?
The InChIKey is KFMLKCNMWOCJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIO/c14-12-8-4-3-7-11(12)13(9-15)16-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9H2.
What are the key properties of 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene?
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene has a molecular weight of 350.63 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene is sourced from PubChem (CID 114772493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).