(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

C17H23IO2 — CID 115823060

IUPAC(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1ccccc1I)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H23IO2/c18-15-7-3-2-6-14(15)16(19)13-8-11-20-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16,19H,1,4-5,8-12H2
InChIKeyUODFWKYQSGSDTB-UHFFFAOYSA-N
MW386.27 g/mol
LogP4.45
Rot. Bonds2

About (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 115823060) has the molecular formula C17H23IO2 and a molecular weight of 386.27 g/mol. Its IUPAC name is (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID115823060
Molecular FormulaC17H23IO2
Molecular Weight386.27 g/mol
Exact Mass386.07
IUPAC Name(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1ccccc1I)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H23IO2/c18-15-7-3-2-6-14(15)16(19)13-8-11-20-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16,19H,1,4-5,8-12H2
InChIKeyUODFWKYQSGSDTB-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 54.45
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

(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79902050
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819602
(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 107969804
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (CID 115823060) is (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is OC(c1ccccc1I)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is UODFWKYQSGSDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IO2/c18-15-7-3-2-6-14(15)16(19)13-8-11-20-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16,19H,1,4-5,8-12H2.
What are the key properties of (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 386.27 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 115823060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).