6-(1-iodoethyl)naphthalen-2-ol

C12H11IO — CID 147688563

IUPAC6-(1-iodoethyl)naphthalen-2-ol
SMILESCC(I)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C12H11IO/c1-8(13)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3
InChIKeyGQMXRJMKNGYIOT-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.04
Rot. Bonds1

About 6-(1-iodoethyl)naphthalen-2-ol

6-(1-iodoethyl)naphthalen-2-ol (PubChem CID 147688563) has the molecular formula C12H11IO and a molecular weight of 298.12 g/mol. Its IUPAC name is 6-(1-iodoethyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(1-iodoethyl)naphthalen-2-ol
PubChem CID147688563
Molecular FormulaC12H11IO
Molecular Weight298.12 g/mol
Exact Mass297.99
IUPAC Name6-(1-iodoethyl)naphthalen-2-ol
SMILESCC(I)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C12H11IO/c1-8(13)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3
InChIKeyGQMXRJMKNGYIOT-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
CID 171267170
6-(5-methylhexan-3-yl)naphthalen-2-ol
CID 123500206
6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
CID 167237943
sodium;hydride;naphthalene-2,6-diol
CID 174639769
6-(1-hydroxypentan-3-yl)naphthalen-2-ol
CID 69467635
6-[(1R)-1-amino-2-fluoroethyl]naphthalen-2-ol;hydrochloride
CID 171221161
1-(6-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820620
6-[(1R)-1-amino-3-hydroxypropyl]naphthalen-2-ol
CID 131323903
ethane;naphthalen-2-ol
CID 91107047
ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)
CID 158876456
6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171201666
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223

Frequently Asked Questions

What is the IUPAC name of 6-(1-iodoethyl)naphthalen-2-ol?
The IUPAC name of 6-(1-iodoethyl)naphthalen-2-ol (CID 147688563) is 6-(1-iodoethyl)naphthalen-2-ol.
What is the SMILES notation for 6-(1-iodoethyl)naphthalen-2-ol?
The canonical SMILES for 6-(1-iodoethyl)naphthalen-2-ol is CC(I)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-(1-iodoethyl)naphthalen-2-ol?
The InChIKey is GQMXRJMKNGYIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IO/c1-8(13)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3.
What are the key properties of 6-(1-iodoethyl)naphthalen-2-ol?
6-(1-iodoethyl)naphthalen-2-ol has a molecular weight of 298.12 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-iodoethyl)naphthalen-2-ol is sourced from PubChem (CID 147688563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).