8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol

C25H26O4 — CID 14985908

IUPAC8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C25H26O4/c26-24(10-12-25(13-11-24)28-14-15-29-25)22-6-3-7-23(17-22)27-18-19-8-9-20-4-1-2-5-21(20)16-19/h1-9,16-17,26H,10-15,18H2
InChIKeyCFYRPEJUEDMRSN-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.92
Rot. Bonds4

About 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 14985908) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID14985908
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C25H26O4/c26-24(10-12-25(13-11-24)28-14-15-29-25)22-6-3-7-23(17-22)27-18-19-8-9-20-4-1-2-5-21(20)16-19/h1-9,16-17,26H,10-15,18H2
InChIKeyCFYRPEJUEDMRSN-UHFFFAOYSA-N
XLogP4.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 14985908) is 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is CFYRPEJUEDMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c26-24(10-12-25(13-11-24)28-14-15-29-25)22-6-3-7-23(17-22)27-18-19-8-9-20-4-1-2-5-21(20)16-19/h1-9,16-17,26H,10-15,18H2.
What are the key properties of 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 390.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 14985908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).