1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene

C15H21IO — CID 70806278

IUPAC1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene
SMILESCc1cc(I)ccc1OCCCC1CCCC1
InChIInChI=1S/C15H21IO/c1-12-11-14(16)8-9-15(12)17-10-4-7-13-5-2-3-6-13/h8-9,11,13H,2-7,10H2,1H3
InChIKeyVSLTXNFWPBVCQY-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.95
Rot. Bonds5

About 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene

1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene (PubChem CID 70806278) has the molecular formula C15H21IO and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene.

Molecular Properties

Compound Name1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene
PubChem CID70806278
Molecular FormulaC15H21IO
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC Name1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene
SMILESCc1cc(I)ccc1OCCCC1CCCC1
InChIInChI=1S/C15H21IO/c1-12-11-14(16)8-9-15(12)17-10-4-7-13-5-2-3-6-13/h8-9,11,13H,2-7,10H2,1H3
InChIKeyVSLTXNFWPBVCQY-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclohexylethoxy)-3-methylaniline
CID 26189992
3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208
2-(2-cyclobutylethoxy)-5-iodoaniline
CID 106199721
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
CID 114276820
1-butoxy-2-methyl-4-(4-nonylcyclohexyl)benzene
CID 18646819
1-[3-(4-iodo-2-methylphenoxy)propyl]imidazole
CID 2995325
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
4-(5-cyclohexylpentoxy)-3-methoxyaniline
CID 27225
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene
CID 163951571
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene?
The IUPAC name of 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene (CID 70806278) is 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene.
What is the SMILES notation for 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene?
The canonical SMILES for 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene is Cc1cc(I)ccc1OCCCC1CCCC1.
What is the InChIKey of 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene?
The InChIKey is VSLTXNFWPBVCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO/c1-12-11-14(16)8-9-15(12)17-10-4-7-13-5-2-3-6-13/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene?
1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene has a molecular weight of 344.24 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene is sourced from PubChem (CID 70806278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).