1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol

C18H26O2 — CID 79913678

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)C1CCOC2(CCC2)C1)c1ccccc1
InChIInChI=1S/C18H26O2/c1-14(15-6-3-2-4-7-15)12-17(19)16-8-11-20-18(13-16)9-5-10-18/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3
InChIKeyYQTVQZIANDPFGR-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.89
Rot. Bonds4

About 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol

1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol (PubChem CID 79913678) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
PubChem CID79913678
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)C1CCOC2(CCC2)C1)c1ccccc1
InChIInChI=1S/C18H26O2/c1-14(15-6-3-2-4-7-15)12-17(19)16-8-11-20-18(13-16)9-5-10-18/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3
InChIKeyYQTVQZIANDPFGR-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-3-phenylbutan-1-ol
CID 63937274
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
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115527624
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
CID 104846100
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
5-oxaspiro[3.5]nonan-8-yl-(2-phenylcyclopropyl)methanol
CID 115819710
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol (CID 79913678) is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol is CC(CC(O)C1CCOC2(CCC2)C1)c1ccccc1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol?
The InChIKey is YQTVQZIANDPFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14(15-6-3-2-4-7-15)12-17(19)16-8-11-20-18(13-16)9-5-10-18/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol?
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol is sourced from PubChem (CID 79913678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).