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

C18H26O2 — CID 79913390

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H26O2/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2
InChIKeyPDJNONVDCLKIMC-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.72
Rot. Bonds3

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

1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol (PubChem CID 79913390) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
PubChem CID79913390
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H26O2/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2
InChIKeyPDJNONVDCLKIMC-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol 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-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79922112
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol (CID 79913390) is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol is OC(Cc1ccccc1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol?
The InChIKey is PDJNONVDCLKIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol?
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol has a molecular weight of 274.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol is sourced from PubChem (CID 79913390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).