1-iodo-4-(2-methylpentoxymethyl)benzene

C13H19IO — CID 103284629

IUPAC1-iodo-4-(2-methylpentoxymethyl)benzene
SMILESCCCC(C)COCc1ccc(I)cc1
InChIInChI=1S/C13H19IO/c1-3-4-11(2)9-15-10-12-5-7-13(14)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyCYYRPDQVWVUJJW-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.24
Rot. Bonds6

About 1-iodo-4-(2-methylpentoxymethyl)benzene

1-iodo-4-(2-methylpentoxymethyl)benzene (PubChem CID 103284629) has the molecular formula C13H19IO and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-iodo-4-(2-methylpentoxymethyl)benzene.

Molecular Properties

Compound Name1-iodo-4-(2-methylpentoxymethyl)benzene
PubChem CID103284629
Molecular FormulaC13H19IO
Molecular Weight318.20 g/mol
Exact Mass318.05
IUPAC Name1-iodo-4-(2-methylpentoxymethyl)benzene
SMILESCCCC(C)COCc1ccc(I)cc1
InChIInChI=1S/C13H19IO/c1-3-4-11(2)9-15-10-12-5-7-13(14)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyCYYRPDQVWVUJJW-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283917
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
CID 103285685
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
N-methyl-5-(2-methylpentoxymethyl)pyridin-2-amine
CID 103285298
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
4-(2-methylbutoxymethyl)aniline
CID 62103627
2-methoxy-5-(2-methylpentoxymethyl)benzoic acid
CID 103285867
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
3-[2-fluoro-5-(2-methylpentoxymethyl)phenyl]prop-2-yn-1-ol
CID 103284667
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103283433

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(2-methylpentoxymethyl)benzene?
The IUPAC name of 1-iodo-4-(2-methylpentoxymethyl)benzene (CID 103284629) is 1-iodo-4-(2-methylpentoxymethyl)benzene.
What is the SMILES notation for 1-iodo-4-(2-methylpentoxymethyl)benzene?
The canonical SMILES for 1-iodo-4-(2-methylpentoxymethyl)benzene is CCCC(C)COCc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-(2-methylpentoxymethyl)benzene?
The InChIKey is CYYRPDQVWVUJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO/c1-3-4-11(2)9-15-10-12-5-7-13(14)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-iodo-4-(2-methylpentoxymethyl)benzene?
1-iodo-4-(2-methylpentoxymethyl)benzene has a molecular weight of 318.20 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(2-methylpentoxymethyl)benzene is sourced from PubChem (CID 103284629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).