1-(3-hydroxy-2-iodopropoxy)butan-2-ol

C7H15IO3 — CID 118303811

IUPAC1-(3-hydroxy-2-iodopropoxy)butan-2-ol
SMILESCCC(O)COCC(I)CO
InChIInChI=1S/C7H15IO3/c1-2-7(10)5-11-4-6(8)3-9/h6-7,9-10H,2-5H2,1H3
InChIKeyTZKLQYCKIITACF-UHFFFAOYSA-N
MW274.10 g/mol
LogP0.57
Rot. Bonds6

About 1-(3-hydroxy-2-iodopropoxy)butan-2-ol

1-(3-hydroxy-2-iodopropoxy)butan-2-ol (PubChem CID 118303811) has the molecular formula C7H15IO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-(3-hydroxy-2-iodopropoxy)butan-2-ol.

Molecular Properties

Compound Name1-(3-hydroxy-2-iodopropoxy)butan-2-ol
PubChem CID118303811
Molecular FormulaC7H15IO3
Molecular Weight274.10 g/mol
Exact Mass274.01
IUPAC Name1-(3-hydroxy-2-iodopropoxy)butan-2-ol
SMILESCCC(O)COCC(I)CO
InChIInChI=1S/C7H15IO3/c1-2-7(10)5-11-4-6(8)3-9/h6-7,9-10H,2-5H2,1H3
InChIKeyTZKLQYCKIITACF-UHFFFAOYSA-N
XLogP0.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
CID 164930763
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol;bis(3-(2-hydroxybutoxy)propane-1,2-diol)
CID 167586490
3-[2-[2-[(2R)-3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol
CID 134336101
1-(2-fluoroethoxy)butan-2-ol
CID 58952834
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
(2R)-1-butoxybutan-2-ol
CID 27255938
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-iodopropoxy)butan-2-ol?
The IUPAC name of 1-(3-hydroxy-2-iodopropoxy)butan-2-ol (CID 118303811) is 1-(3-hydroxy-2-iodopropoxy)butan-2-ol.
What is the SMILES notation for 1-(3-hydroxy-2-iodopropoxy)butan-2-ol?
The canonical SMILES for 1-(3-hydroxy-2-iodopropoxy)butan-2-ol is CCC(O)COCC(I)CO.
What is the InChIKey of 1-(3-hydroxy-2-iodopropoxy)butan-2-ol?
The InChIKey is TZKLQYCKIITACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IO3/c1-2-7(10)5-11-4-6(8)3-9/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 1-(3-hydroxy-2-iodopropoxy)butan-2-ol?
1-(3-hydroxy-2-iodopropoxy)butan-2-ol has a molecular weight of 274.10 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-iodopropoxy)butan-2-ol is sourced from PubChem (CID 118303811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).