4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol

C15H19IO2 — CID 139990364

IUPAC4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol
SMILESCC(O)CC(C)OC1(I)CC=Cc2ccccc21
InChIInChI=1S/C15H19IO2/c1-11(17)10-12(2)18-15(16)9-5-7-13-6-3-4-8-14(13)15/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyXLSGIJCMIPKKNO-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.87
Rot. Bonds4

About 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol

4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol (PubChem CID 139990364) has the molecular formula C15H19IO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol.

Molecular Properties

Compound Name4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol
PubChem CID139990364
Molecular FormulaC15H19IO2
Molecular Weight358.22 g/mol
Exact Mass358.04
IUPAC Name4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol
SMILESCC(O)CC(C)OC1(I)CC=Cc2ccccc21
InChIInChI=1S/C15H19IO2/c1-11(17)10-12(2)18-15(16)9-5-7-13-6-3-4-8-14(13)15/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyXLSGIJCMIPKKNO-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
(1-methyl-2H-naphthalen-1-yl)methanamine
CID 71302086
(1S)-1-[[[(S)-hydroxy(sulfanyl)methyl]amino]methyl]-2H-naphthalen-1-ol
CID 124639411
1,1'-spirobi[2H-naphthalene]
CID 158698330
1-(chloromethyl)-1-methoxy-2H-naphthalene
CID 155163212
1-methoxy-2H-naphthalen-1-amine
CID 141164754
N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide
CID 19868678
[1-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-2-iodoethyl] acetate
CID 10047738
tris(pentane-2,4-diol);ruthenium
CID 5231187
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
4-phenylheptane-2,6-diol
CID 173150769
4-(1-amino-2H-naphthalen-1-yl)-3-diethoxyphosphorylbutan-2-one
CID 176899381

Frequently Asked Questions

What is the IUPAC name of 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol?
The IUPAC name of 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol (CID 139990364) is 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol.
What is the SMILES notation for 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol?
The canonical SMILES for 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol is CC(O)CC(C)OC1(I)CC=Cc2ccccc21.
What is the InChIKey of 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol?
The InChIKey is XLSGIJCMIPKKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IO2/c1-11(17)10-12(2)18-15(16)9-5-7-13-6-3-4-8-14(13)15/h3-8,11-12,17H,9-10H2,1-2H3.
What are the key properties of 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol?
4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol has a molecular weight of 358.22 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol is sourced from PubChem (CID 139990364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).