cyclopropyl-(5-iodo-2-propoxyphenyl)methanone

C13H15IO2 — CID 82267286

IUPACcyclopropyl-(5-iodo-2-propoxyphenyl)methanone
SMILESCCCOc1ccc(I)cc1C(=O)C1CC1
InChIInChI=1S/C13H15IO2/c1-2-7-16-12-6-5-10(14)8-11(12)13(15)9-3-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyXDKGJQFNBLVNFI-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.67
Rot. Bonds5

About cyclopropyl-(5-iodo-2-propoxyphenyl)methanone

cyclopropyl-(5-iodo-2-propoxyphenyl)methanone (PubChem CID 82267286) has the molecular formula C13H15IO2 and a molecular weight of 330.17 g/mol. Its IUPAC name is cyclopropyl-(5-iodo-2-propoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-iodo-2-propoxyphenyl)methanone
PubChem CID82267286
Molecular FormulaC13H15IO2
Molecular Weight330.17 g/mol
Exact Mass330.01
IUPAC Namecyclopropyl-(5-iodo-2-propoxyphenyl)methanone
SMILESCCCOc1ccc(I)cc1C(=O)C1CC1
InChIInChI=1S/C13H15IO2/c1-2-7-16-12-6-5-10(14)8-11(12)13(15)9-3-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyXDKGJQFNBLVNFI-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-propoxybenzoic acid
CID 10804556
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
methyl 5-iodo-2-propoxybenzoate
CID 69136629
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
5-iodo-2-pentoxybenzoic acid
CID 82996012
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
cyclohexyl-(3,4-dipropoxyphenyl)methanone
CID 82550226
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-iodo-2-propoxyphenyl)methanone?
The IUPAC name of cyclopropyl-(5-iodo-2-propoxyphenyl)methanone (CID 82267286) is cyclopropyl-(5-iodo-2-propoxyphenyl)methanone.
What is the SMILES notation for cyclopropyl-(5-iodo-2-propoxyphenyl)methanone?
The canonical SMILES for cyclopropyl-(5-iodo-2-propoxyphenyl)methanone is CCCOc1ccc(I)cc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(5-iodo-2-propoxyphenyl)methanone?
The InChIKey is XDKGJQFNBLVNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IO2/c1-2-7-16-12-6-5-10(14)8-11(12)13(15)9-3-4-9/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of cyclopropyl-(5-iodo-2-propoxyphenyl)methanone?
cyclopropyl-(5-iodo-2-propoxyphenyl)methanone has a molecular weight of 330.17 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-iodo-2-propoxyphenyl)methanone is sourced from PubChem (CID 82267286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).