[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol

C15H20O3 — CID 168846063

IUPAC[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol
SMILESOCc1cccc(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C15H20O3/c16-11-12-2-1-3-14(10-12)13-4-6-15(7-5-13)17-8-9-18-15/h1-3,10,13,16H,4-9,11H2
InChIKeyWJPSJTPDESWCQK-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.58
Rot. Bonds2

About [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol

[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol (PubChem CID 168846063) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol
PubChem CID168846063
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol
SMILESOCc1cccc(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C15H20O3/c16-11-12-2-1-3-14(10-12)13-4-6-15(7-5-13)17-8-9-18-15/h1-3,10,13,16H,4-9,11H2
InChIKeyWJPSJTPDESWCQK-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol?
The IUPAC name of [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol (CID 168846063) is [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol.
What is the SMILES notation for [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol?
The canonical SMILES for [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol is OCc1cccc(C2CCC3(CC2)OCCO3)c1.
What is the InChIKey of [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol?
The InChIKey is WJPSJTPDESWCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-11-12-2-1-3-14(10-12)13-4-6-15(7-5-13)17-8-9-18-15/h1-3,10,13,16H,4-9,11H2.
What are the key properties of [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol?
[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol has a molecular weight of 248.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol is sourced from PubChem (CID 168846063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).