1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene

C13H16ClIO — CID 114772471

IUPAC1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
SMILESClc1cccc(C(CI)OC2CCCC2)c1
InChIInChI=1S/C13H16ClIO/c14-11-5-3-4-10(8-11)13(9-15)16-12-6-1-2-7-12/h3-5,8,12-13H,1-2,6-7,9H2
InChIKeyFWTZZXWFAVGUQS-UHFFFAOYSA-N
MW350.63 g/mol
LogP4.78
Rot. Bonds4

About 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene

1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene (PubChem CID 114772471) has the molecular formula C13H16ClIO and a molecular weight of 350.63 g/mol. Its IUPAC name is 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
PubChem CID114772471
Molecular FormulaC13H16ClIO
Molecular Weight350.63 g/mol
Exact Mass349.99
IUPAC Name1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
SMILESClc1cccc(C(CI)OC2CCCC2)c1
InChIInChI=1S/C13H16ClIO/c14-11-5-3-4-10(8-11)13(9-15)16-12-6-1-2-7-12/h3-5,8,12-13H,1-2,6-7,9H2
InChIKeyFWTZZXWFAVGUQS-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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Related Compounds

1-chloro-4-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773972
ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
CID 148697514
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
CID 114340592
1-chloro-3-(2-iodo-1-propan-2-yloxyethyl)benzene
CID 114772102
[2-iodo-1-(4-methylphenyl)ethoxy]cycloheptane
CID 114773753
1-[1-(4,4-dimethylcyclohexyl)oxy-2-iodoethyl]-3-methylbenzene
CID 114775187
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
1-bromo-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774280
1-fluoro-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774271
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene?
The IUPAC name of 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene (CID 114772471) is 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene.
What is the SMILES notation for 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene?
The canonical SMILES for 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene is Clc1cccc(C(CI)OC2CCCC2)c1.
What is the InChIKey of 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene?
The InChIKey is FWTZZXWFAVGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIO/c14-11-5-3-4-10(8-11)13(9-15)16-12-6-1-2-7-12/h3-5,8,12-13H,1-2,6-7,9H2.
What are the key properties of 1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene?
1-chloro-3-(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-3-(1-cyclopentyloxy-2-iodoethyl)benzene is sourced from PubChem (CID 114772471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).