1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol

C17H24O3 — CID 103459515

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24O3/c18-15(13-6-2-1-3-7-13)16(19)14-8-11-20-17(12-14)9-4-5-10-17/h1-3,6-7,14-16,18-19H,4-5,8-12H2
InChIKeyGCSKPUCVHGMGEI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.82
Rot. Bonds3

About 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol

1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol (PubChem CID 103459515) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
PubChem CID103459515
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24O3/c18-15(13-6-2-1-3-7-13)16(19)14-8-11-20-17(12-14)9-4-5-10-17/h1-3,6-7,14-16,18-19H,4-5,8-12H2
InChIKeyGCSKPUCVHGMGEI-UHFFFAOYSA-N
XLogP2.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol 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

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
CID 104846100
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
5-oxaspiro[3.5]nonan-8-yl-(2-phenylcyclopropyl)methanol
CID 115819710
(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
CID 132578778
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79970798
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol (CID 103459515) is 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol is OC(c1ccccc1)C(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol?
The InChIKey is GCSKPUCVHGMGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c18-15(13-6-2-1-3-7-13)16(19)14-8-11-20-17(12-14)9-4-5-10-17/h1-3,6-7,14-16,18-19H,4-5,8-12H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol?
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol has a molecular weight of 276.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol is sourced from PubChem (CID 103459515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).