[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol

C15H18O3 — CID 59541120

IUPAC[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol
SMILESOCc1ccccc1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C15H18O3/c16-11-13-3-1-2-4-14(13)12-5-7-15(8-6-12)17-9-10-18-15/h1-5,16H,6-11H2
InChIKeyXXAFUAMNBGBVJG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.49
Rot. Bonds2

About [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol

[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol (PubChem CID 59541120) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol
PubChem CID59541120
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol
SMILESOCc1ccccc1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C15H18O3/c16-11-13-3-1-2-4-14(13)12-5-7-15(8-6-12)17-9-10-18-15/h1-5,16H,6-11H2
InChIKeyXXAFUAMNBGBVJG-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol?
The IUPAC name of [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol (CID 59541120) is [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol.
What is the SMILES notation for [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol?
The canonical SMILES for [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol is OCc1ccccc1C1=CCC2(CC1)OCCO2.
What is the InChIKey of [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol?
The InChIKey is XXAFUAMNBGBVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-11-13-3-1-2-4-14(13)12-5-7-15(8-6-12)17-9-10-18-15/h1-5,16H,6-11H2.
What are the key properties of [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol?
[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol is sourced from PubChem (CID 59541120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).