2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol

C16H22O3 — CID 123822075

IUPAC2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol
SMILESOCCC1OC2(CCCC2)OC1Cc1ccccc1
InChIInChI=1S/C16H22O3/c17-11-8-14-15(12-13-6-2-1-3-7-13)19-16(18-14)9-4-5-10-16/h1-3,6-7,14-15,17H,4-5,8-12H2
InChIKeyOSXXFEUYYMIPKG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol

2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol (PubChem CID 123822075) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol
PubChem CID123822075
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol
SMILESOCCC1OC2(CCCC2)OC1Cc1ccccc1
InChIInChI=1S/C16H22O3/c17-11-8-14-15(12-13-6-2-1-3-7-13)19-16(18-14)9-4-5-10-16/h1-3,6-7,14-15,17H,4-5,8-12H2
InChIKeyOSXXFEUYYMIPKG-UHFFFAOYSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,3S)-3-benzyl-1,4-dioxaspiro[4.5]decan-2-yl]ethyl pentanoate
CID 174021700
2-(3-benzyl-1,4-dioxaspiro[4.5]decan-2-yl)ethyl 4,4-dimethylpentanoate
CID 123840839
[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol
CID 174021702
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
CID 118379052
[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
CID 123409924
(2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol
CID 147558547
[(3aR,7S)-4-(2-hydroxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl] benzoate
CID 155032698
[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane
CID 170897994
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol?
The IUPAC name of 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol (CID 123822075) is 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol.
What is the SMILES notation for 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol?
The canonical SMILES for 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol is OCCC1OC2(CCCC2)OC1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol?
The InChIKey is OSXXFEUYYMIPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-11-8-14-15(12-13-6-2-1-3-7-13)19-16(18-14)9-4-5-10-16/h1-3,6-7,14-15,17H,4-5,8-12H2.
What are the key properties of 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol?
2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol has a molecular weight of 262.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol is sourced from PubChem (CID 123822075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).