(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C15H19IO2 — CID 115819602

IUPAC(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1cccc(I)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H19IO2/c16-13-4-1-3-11(9-13)14(17)12-5-8-18-15(10-12)6-2-7-15/h1,3-4,9,12,14,17H,2,5-8,10H2
InChIKeyVQDXARBMCIHESN-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.67
Rot. Bonds2

About (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 115819602) has the molecular formula C15H19IO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID115819602
Molecular FormulaC15H19IO2
Molecular Weight358.22 g/mol
Exact Mass358.04
IUPAC Name(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1cccc(I)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H19IO2/c16-13-4-1-3-11(9-13)14(17)12-5-8-18-15(10-12)6-2-7-15/h1,3-4,9,12,14,17H,2,5-8,10H2
InChIKeyVQDXARBMCIHESN-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115527624
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 115819602) is (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is OC(c1cccc(I)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is VQDXARBMCIHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IO2/c16-13-4-1-3-11(9-13)14(17)12-5-8-18-15(10-12)6-2-7-15/h1,3-4,9,12,14,17H,2,5-8,10H2.
What are the key properties of (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 358.22 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 115819602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).