3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene

C15H21IO — CID 114773849

IUPAC3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene
SMILESICC1(OCCCc2ccccc2)CCCC1
InChIInChI=1S/C15H21IO/c16-13-15(10-4-5-11-15)17-12-6-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2
InChIKeyASLWZSADOLHIFI-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.38
Rot. Bonds6

About 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene

3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene (PubChem CID 114773849) has the molecular formula C15H21IO and a molecular weight of 344.24 g/mol. Its IUPAC name is 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene.

Molecular Properties

Compound Name3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene
PubChem CID114773849
Molecular FormulaC15H21IO
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC Name3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene
SMILESICC1(OCCCc2ccccc2)CCCC1
InChIInChI=1S/C15H21IO/c16-13-15(10-4-5-11-15)17-12-6-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2
InChIKeyASLWZSADOLHIFI-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxypropylbenzene
CID 114773857
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene
CID 165489430
N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
CID 63473773
3-[1-(bromomethyl)-4-ethylcyclohexyl]oxypropylbenzene
CID 63474419
3-phenylpropyl 2-(1-aminocyclobutyl)acetate
CID 79845366
benzylethoxysilane
CID 66773279
4-phenylbutylbenzene
CID 141301927
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
3-phenylpropyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240364
1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 114773651

Frequently Asked Questions

What is the IUPAC name of 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene?
The IUPAC name of 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene (CID 114773849) is 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene.
What is the SMILES notation for 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene?
The canonical SMILES for 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene is ICC1(OCCCc2ccccc2)CCCC1.
What is the InChIKey of 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene?
The InChIKey is ASLWZSADOLHIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO/c16-13-15(10-4-5-11-15)17-12-6-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2.
What are the key properties of 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene?
3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene has a molecular weight of 344.24 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene is sourced from PubChem (CID 114773849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).