2-cyclopropyl-1-(4-iodophenyl)propan-2-ol

C12H15IO — CID 65477048

IUPAC2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C12H15IO/c1-12(14,10-4-5-10)8-9-2-6-11(13)7-3-9/h2-3,6-7,10,14H,4-5,8H2,1H3
InChIKeyMQZMELMKFYEEGH-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.99
Rot. Bonds3

About 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol

2-cyclopropyl-1-(4-iodophenyl)propan-2-ol (PubChem CID 65477048) has the molecular formula C12H15IO and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
PubChem CID65477048
Molecular FormulaC12H15IO
Molecular Weight302.15 g/mol
Exact Mass302.02
IUPAC Name2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C12H15IO/c1-12(14,10-4-5-10)8-9-2-6-11(13)7-3-9/h2-3,6-7,10,14H,4-5,8H2,1H3
InChIKeyMQZMELMKFYEEGH-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.99
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

2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410
2-cyclohexyl-1-(4-methylphenyl)propan-2-ol
CID 114794900
2-cyclopropyl-3-(4-iodophenyl)-2-methylpropan-1-amine
CID 83147875
2-cyclohexyl-1-(4-fluorophenyl)propan-2-ol
CID 114794899
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833051
1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
CID 66037217
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 65490567
1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
CID 105474764
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol?
The IUPAC name of 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol (CID 65477048) is 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol is CC(O)(Cc1ccc(I)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol?
The InChIKey is MQZMELMKFYEEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-12(14,10-4-5-10)8-9-2-6-11(13)7-3-9/h2-3,6-7,10,14H,4-5,8H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol?
2-cyclopropyl-1-(4-iodophenyl)propan-2-ol has a molecular weight of 302.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-iodophenyl)propan-2-ol is sourced from PubChem (CID 65477048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).