4-(cyclohexylmethyl)benzoyl iodide

C14H17IO — CID 163522101

IUPAC4-(cyclohexylmethyl)benzoyl iodide
SMILESO=C(I)c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C14H17IO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyDLSLKPWIKVVAOL-UHFFFAOYSA-N
MW328.19 g/mol
LogP4.38
Rot. Bonds3

About 4-(cyclohexylmethyl)benzoyl iodide

4-(cyclohexylmethyl)benzoyl iodide (PubChem CID 163522101) has the molecular formula C14H17IO and a molecular weight of 328.19 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)benzoyl iodide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)benzoyl iodide
PubChem CID163522101
Molecular FormulaC14H17IO
Molecular Weight328.19 g/mol
Exact Mass328.03
IUPAC Name4-(cyclohexylmethyl)benzoyl iodide
SMILESO=C(I)c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C14H17IO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyDLSLKPWIKVVAOL-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727
4-(cyclobutylmethyl)benzamide
CID 174975666
bis[4-(cyclohexylmethyl)phenyl] carbonate
CID 141347280
1-[4-[4-(cyclobutylmethyl)phenyl]phenyl]ethanone
CID 18738048
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
[4-(chloromethyl)phenyl]methylcyclooctane
CID 134250550
1-[4-(cyclohexylmethyl)phenyl]borolane
CID 123849299
4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide
CID 58930422
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)benzoyl iodide?
The IUPAC name of 4-(cyclohexylmethyl)benzoyl iodide (CID 163522101) is 4-(cyclohexylmethyl)benzoyl iodide.
What is the SMILES notation for 4-(cyclohexylmethyl)benzoyl iodide?
The canonical SMILES for 4-(cyclohexylmethyl)benzoyl iodide is O=C(I)c1ccc(CC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethyl)benzoyl iodide?
The InChIKey is DLSLKPWIKVVAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 4-(cyclohexylmethyl)benzoyl iodide?
4-(cyclohexylmethyl)benzoyl iodide has a molecular weight of 328.19 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)benzoyl iodide is sourced from PubChem (CID 163522101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).