2-(3-iodo-2-methylphenyl)cyclopentan-1-one

C12H13IO — CID 130040763

IUPAC2-(3-iodo-2-methylphenyl)cyclopentan-1-one
SMILESCc1c(I)cccc1C1CCCC1=O
InChIInChI=1S/C12H13IO/c1-8-9(4-2-6-11(8)13)10-5-3-7-12(10)14/h2,4,6,10H,3,5,7H2,1H3
InChIKeyHXZGJYTUAYLNBT-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.44
Rot. Bonds1

About 2-(3-iodo-2-methylphenyl)cyclopentan-1-one

2-(3-iodo-2-methylphenyl)cyclopentan-1-one (PubChem CID 130040763) has the molecular formula C12H13IO and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(3-iodo-2-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-iodo-2-methylphenyl)cyclopentan-1-one
PubChem CID130040763
Molecular FormulaC12H13IO
Molecular Weight300.14 g/mol
Exact Mass300.00
IUPAC Name2-(3-iodo-2-methylphenyl)cyclopentan-1-one
SMILESCc1c(I)cccc1C1CCCC1=O
InChIInChI=1S/C12H13IO/c1-8-9(4-2-6-11(8)13)10-5-3-7-12(10)14/h2,4,6,10H,3,5,7H2,1H3
InChIKeyHXZGJYTUAYLNBT-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.44
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 2-(3-iodo-2-methylphenyl)cyclopentan-1-one?
The IUPAC name of 2-(3-iodo-2-methylphenyl)cyclopentan-1-one (CID 130040763) is 2-(3-iodo-2-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-iodo-2-methylphenyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-iodo-2-methylphenyl)cyclopentan-1-one is Cc1c(I)cccc1C1CCCC1=O.
What is the InChIKey of 2-(3-iodo-2-methylphenyl)cyclopentan-1-one?
The InChIKey is HXZGJYTUAYLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IO/c1-8-9(4-2-6-11(8)13)10-5-3-7-12(10)14/h2,4,6,10H,3,5,7H2,1H3.
What are the key properties of 2-(3-iodo-2-methylphenyl)cyclopentan-1-one?
2-(3-iodo-2-methylphenyl)cyclopentan-1-one has a molecular weight of 300.14 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-2-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 130040763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).