(4-butylcyclohexyl)-(4-iodophenyl)methanone

C17H23IO — CID 43338206

IUPAC(4-butylcyclohexyl)-(4-iodophenyl)methanone
SMILESCCCCC1CCC(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C17H23IO/c1-2-3-4-13-5-7-14(8-6-13)17(19)15-9-11-16(18)12-10-15/h9-14H,2-8H2,1H3
InChIKeyQMJFPPKZSGJDEW-UHFFFAOYSA-N
MW370.27 g/mol
LogP5.47
Rot. Bonds5

About (4-butylcyclohexyl)-(4-iodophenyl)methanone

(4-butylcyclohexyl)-(4-iodophenyl)methanone (PubChem CID 43338206) has the molecular formula C17H23IO and a molecular weight of 370.27 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(4-iodophenyl)methanone
PubChem CID43338206
Molecular FormulaC17H23IO
Molecular Weight370.27 g/mol
Exact Mass370.08
IUPAC Name(4-butylcyclohexyl)-(4-iodophenyl)methanone
SMILESCCCCC1CCC(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C17H23IO/c1-2-3-4-13-5-7-14(8-6-13)17(19)15-9-11-16(18)12-10-15/h9-14H,2-8H2,1H3
InChIKeyQMJFPPKZSGJDEW-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.27
LogP ≤ 55.47
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

(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
CID 65424840
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
(3-amino-4-propoxyphenyl)-(4-butylcyclohexyl)methanone
CID 94759005
4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
CID 107606787
(4-butylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 114963777
[4-(4-bromophenyl)phenyl]-[(1S,3S)-3-pentylcyclopentyl]methanone
CID 7232644
[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
CID 142053699
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
2-[4-(cyclopropanecarbonyl)phenyl]-2-pentylpropanedioic acid
CID 54381236

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(4-iodophenyl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(4-iodophenyl)methanone (CID 43338206) is (4-butylcyclohexyl)-(4-iodophenyl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(4-iodophenyl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(4-iodophenyl)methanone is CCCCC1CCC(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(4-iodophenyl)methanone?
The InChIKey is QMJFPPKZSGJDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IO/c1-2-3-4-13-5-7-14(8-6-13)17(19)15-9-11-16(18)12-10-15/h9-14H,2-8H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(4-iodophenyl)methanone?
(4-butylcyclohexyl)-(4-iodophenyl)methanone has a molecular weight of 370.27 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(4-iodophenyl)methanone is sourced from PubChem (CID 43338206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).