8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

C21H24O4 — CID 70007611

IUPAC8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccccc2OCc2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C21H24O4/c22-20(10-12-21(13-11-20)24-14-15-25-21)18-8-4-5-9-19(18)23-16-17-6-2-1-3-7-17/h1-9,22H,10-16H2
InChIKeyKBDDHMHMCGBRDL-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.77
Rot. Bonds4

About 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 70007611) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID70007611
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccccc2OCc2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C21H24O4/c22-20(10-12-21(13-11-20)24-14-15-25-21)18-8-4-5-9-19(18)23-16-17-6-2-1-3-7-17/h1-9,22H,10-16H2
InChIKeyKBDDHMHMCGBRDL-UHFFFAOYSA-N
XLogP3.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 70007611) is 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2ccccc2OCc2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is KBDDHMHMCGBRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c22-20(10-12-21(13-11-20)24-14-15-25-21)18-8-4-5-9-19(18)23-16-17-6-2-1-3-7-17/h1-9,22H,10-16H2.
What are the key properties of 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 340.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 70007611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).