1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene

C13H17IO — CID 130578092

IUPAC1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene
SMILESCC1(COc2ccc(I)cc2)CCCC1
InChIInChI=1S/C13H17IO/c1-13(8-2-3-9-13)10-15-12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyUNDNKEVDOZWFOC-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.25
Rot. Bonds3

About 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene

1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene (PubChem CID 130578092) has the molecular formula C13H17IO and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene.

Molecular Properties

Compound Name1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene
PubChem CID130578092
Molecular FormulaC13H17IO
Molecular Weight316.18 g/mol
Exact Mass316.03
IUPAC Name1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene
SMILESCC1(COc2ccc(I)cc2)CCCC1
InChIInChI=1S/C13H17IO/c1-13(8-2-3-9-13)10-15-12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyUNDNKEVDOZWFOC-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene?
The IUPAC name of 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene (CID 130578092) is 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene.
What is the SMILES notation for 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene?
The canonical SMILES for 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene is CC1(COc2ccc(I)cc2)CCCC1.
What is the InChIKey of 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene?
The InChIKey is UNDNKEVDOZWFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IO/c1-13(8-2-3-9-13)10-15-12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene?
1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene has a molecular weight of 316.18 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene is sourced from PubChem (CID 130578092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).