8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol

C16H22O4 — CID 162442263

IUPAC8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOCc1ccccc1CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22O4/c17-12-14-4-2-1-3-13(14)11-15(18)5-7-16(8-6-15)19-9-10-20-16/h1-4,17-18H,5-12H2
InChIKeyALFCZVUFPBVVQD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.77
Rot. Bonds3

About 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 162442263) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID162442263
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOCc1ccccc1CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22O4/c17-12-14-4-2-1-3-13(14)11-15(18)5-7-16(8-6-15)19-9-10-20-16/h1-4,17-18H,5-12H2
InChIKeyALFCZVUFPBVVQD-UHFFFAOYSA-N
XLogP1.77
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 162442263) is 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol is OCc1ccccc1CC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is ALFCZVUFPBVVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c17-12-14-4-2-1-3-13(14)11-15(18)5-7-16(8-6-15)19-9-10-20-16/h1-4,17-18H,5-12H2.
What are the key properties of 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 278.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 162442263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).