4-cyclopentyl-2-(4-iodophenyl)butan-2-ol

C15H21IO — CID 114191831

IUPAC4-cyclopentyl-2-(4-iodophenyl)butan-2-ol
SMILESCC(O)(CCC1CCCC1)c1ccc(I)cc1
InChIInChI=1S/C15H21IO/c1-15(17,11-10-12-4-2-3-5-12)13-6-8-14(16)9-7-13/h6-9,12,17H,2-5,10-11H2,1H3
InChIKeyJMOJWDHVJFAOCG-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.47
Rot. Bonds4

About 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol

4-cyclopentyl-2-(4-iodophenyl)butan-2-ol (PubChem CID 114191831) has the molecular formula C15H21IO and a molecular weight of 344.24 g/mol. Its IUPAC name is 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol.

Molecular Properties

Compound Name4-cyclopentyl-2-(4-iodophenyl)butan-2-ol
PubChem CID114191831
Molecular FormulaC15H21IO
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC Name4-cyclopentyl-2-(4-iodophenyl)butan-2-ol
SMILESCC(O)(CCC1CCCC1)c1ccc(I)cc1
InChIInChI=1S/C15H21IO/c1-15(17,11-10-12-4-2-3-5-12)13-6-8-14(16)9-7-13/h6-9,12,17H,2-5,10-11H2,1H3
InChIKeyJMOJWDHVJFAOCG-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
CID 114191696
4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
CID 114191689
2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol
CID 113490168
2-(4-chlorophenyl)-1-cyclopentylpropan-2-ol
CID 65144991
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 114191843
2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
CID 65477048
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
4-(1-cycloheptyl-2-methylpropan-2-yl)phenol
CID 66619667
2-(4-iodophenyl)-4-methylpent-4-en-2-ol
CID 13328616
2-(4-iodophenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 114083180

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol?
The IUPAC name of 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol (CID 114191831) is 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol.
What is the SMILES notation for 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol?
The canonical SMILES for 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol is CC(O)(CCC1CCCC1)c1ccc(I)cc1.
What is the InChIKey of 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol?
The InChIKey is JMOJWDHVJFAOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO/c1-15(17,11-10-12-4-2-3-5-12)13-6-8-14(16)9-7-13/h6-9,12,17H,2-5,10-11H2,1H3.
What are the key properties of 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol?
4-cyclopentyl-2-(4-iodophenyl)butan-2-ol has a molecular weight of 344.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(4-iodophenyl)butan-2-ol is sourced from PubChem (CID 114191831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).