1-(4-iodobutoxy)ethanol

C6H13IO2 — CID 174760093

IUPAC1-(4-iodobutoxy)ethanol
SMILESCC(O)OCCCCI
InChIInChI=1S/C6H13IO2/c1-6(8)9-5-3-2-4-7/h6,8H,2-5H2,1H3
InChIKeyGUBTVFQOJHRLHH-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.56
Rot. Bonds5

About 1-(4-iodobutoxy)ethanol

1-(4-iodobutoxy)ethanol (PubChem CID 174760093) has the molecular formula C6H13IO2 and a molecular weight of 244.07 g/mol. Its IUPAC name is 1-(4-iodobutoxy)ethanol.

Molecular Properties

Compound Name1-(4-iodobutoxy)ethanol
PubChem CID174760093
Molecular FormulaC6H13IO2
Molecular Weight244.07 g/mol
Exact Mass244.00
IUPAC Name1-(4-iodobutoxy)ethanol
SMILESCC(O)OCCCCI
InChIInChI=1S/C6H13IO2/c1-6(8)9-5-3-2-4-7/h6,8H,2-5H2,1H3
InChIKeyGUBTVFQOJHRLHH-UHFFFAOYSA-N
XLogP1.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-pentoxyethanol
CID 19598527
1-heptacontoxyethanol
CID 169098461
1-(17-methyloctadecoxy)ethanol
CID 87458732
1-[2-(2-iodoethoxy)ethoxy]ethanol
CID 86587426
1-(3-aminopropoxy)ethanol
CID 19915425
1-butoxyethanol;1-butoxypropan-1-ol
CID 161420365
magnesium;hydride;1-propoxyethanol
CID 174529104
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
(2S)-8-iodooctan-2-ol
CID 139766789
4-propan-2-yloxybutane-1,1-diol
CID 87074397
methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate
CID 146507765
1-(1-hexoxyethoxy)ethanol
CID 22559456

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodobutoxy)ethanol?
The IUPAC name of 1-(4-iodobutoxy)ethanol (CID 174760093) is 1-(4-iodobutoxy)ethanol.
What is the SMILES notation for 1-(4-iodobutoxy)ethanol?
The canonical SMILES for 1-(4-iodobutoxy)ethanol is CC(O)OCCCCI.
What is the InChIKey of 1-(4-iodobutoxy)ethanol?
The InChIKey is GUBTVFQOJHRLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO2/c1-6(8)9-5-3-2-4-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-(4-iodobutoxy)ethanol?
1-(4-iodobutoxy)ethanol has a molecular weight of 244.07 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodobutoxy)ethanol is sourced from PubChem (CID 174760093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).