1-(2-iodophenyl)-3-methylpentan-1-ol

C12H17IO — CID 115789355

IUPAC1-(2-iodophenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccccc1I
InChIInChI=1S/C12H17IO/c1-3-9(2)8-12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyPZCJLJBIFKHPPP-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-iodophenyl)-3-methylpentan-1-ol

1-(2-iodophenyl)-3-methylpentan-1-ol (PubChem CID 115789355) has the molecular formula C12H17IO and a molecular weight of 304.17 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-methylpentan-1-ol
PubChem CID115789355
Molecular FormulaC12H17IO
Molecular Weight304.17 g/mol
Exact Mass304.03
IUPAC Name1-(2-iodophenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccccc1I
InChIInChI=1S/C12H17IO/c1-3-9(2)8-12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyPZCJLJBIFKHPPP-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.76
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

1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
1-(2-iodophenyl)-2-propan-2-yloxyethanol
CID 115821533
1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789330
1-(2-iodophenyl)-2-methoxyethanol
CID 115819112
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235619

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(2-iodophenyl)-3-methylpentan-1-ol (CID 115789355) is 1-(2-iodophenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(2-iodophenyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(2-iodophenyl)-3-methylpentan-1-ol is CCC(C)CC(O)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-methylpentan-1-ol?
The InChIKey is PZCJLJBIFKHPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO/c1-3-9(2)8-12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-3-methylpentan-1-ol?
1-(2-iodophenyl)-3-methylpentan-1-ol has a molecular weight of 304.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 115789355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).