[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone

C19H19IO — CID 142053699

IUPAC[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2ccc(-c3ccc(I)cc3)cc2)C1
InChIInChI=1S/C19H19IO/c1-13-2-3-17(12-13)19(21)16-6-4-14(5-7-16)15-8-10-18(20)11-9-15/h4-11,13,17H,2-3,12H2,1H3
InChIKeyWVPFXHBXCCWYAY-UHFFFAOYSA-N
MW390.26 g/mol
LogP5.58
Rot. Bonds3

About [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone

[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone (PubChem CID 142053699) has the molecular formula C19H19IO and a molecular weight of 390.26 g/mol. Its IUPAC name is [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
PubChem CID142053699
Molecular FormulaC19H19IO
Molecular Weight390.26 g/mol
Exact Mass390.05
IUPAC Name[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2ccc(-c3ccc(I)cc3)cc2)C1
InChIInChI=1S/C19H19IO/c1-13-2-3-17(12-13)19(21)16-6-4-14(5-7-16)15-8-10-18(20)11-9-15/h4-11,13,17H,2-3,12H2,1H3
InChIKeyWVPFXHBXCCWYAY-UHFFFAOYSA-N
XLogP5.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.26
LogP ≤ 55.58
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

2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
(4-iodophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824694
3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 57168194
(4-butylcyclohexyl)-(4-iodophenyl)methanone
CID 43338206
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
N-(2,5-dimethylcyclohexyl)-4-iodobenzamide
CID 4265183
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095

Frequently Asked Questions

What is the IUPAC name of [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone?
The IUPAC name of [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone (CID 142053699) is [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone.
What is the SMILES notation for [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone?
The canonical SMILES for [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone is CC1CCC(C(=O)c2ccc(-c3ccc(I)cc3)cc2)C1.
What is the InChIKey of [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone?
The InChIKey is WVPFXHBXCCWYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IO/c1-13-2-3-17(12-13)19(21)16-6-4-14(5-7-16)15-8-10-18(20)11-9-15/h4-11,13,17H,2-3,12H2,1H3.
What are the key properties of [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone?
[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone has a molecular weight of 390.26 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone is sourced from PubChem (CID 142053699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).