8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol

C20H23NO4 — CID 59361618

IUPAC8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccc(OCc3ccccc3)nc2)CCC2(CC1)OCCO2
InChIInChI=1S/C20H23NO4/c22-19(8-10-20(11-9-19)24-12-13-25-20)17-6-7-18(21-14-17)23-15-16-4-2-1-3-5-16/h1-7,14,22H,8-13,15H2
InChIKeyIGJLCXDQVVZPJN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.17
Rot. Bonds4

About 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 59361618) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID59361618
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccc(OCc3ccccc3)nc2)CCC2(CC1)OCCO2
InChIInChI=1S/C20H23NO4/c22-19(8-10-20(11-9-19)24-12-13-25-20)17-6-7-18(21-14-17)23-15-16-4-2-1-3-5-16/h1-7,14,22H,8-13,15H2
InChIKeyIGJLCXDQVVZPJN-UHFFFAOYSA-N
XLogP3.17
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 59556106
8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 157424143
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
ethyl-dimethyl-(6-phenylmethoxy-3-pyridinyl)silane
CID 139820510
benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 59226068
2-methyl-5-phenylmethoxypyrazine
CID 129054090

Frequently Asked Questions

What is the IUPAC name of 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 59361618) is 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2ccc(OCc3ccccc3)nc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is IGJLCXDQVVZPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(8-10-20(11-9-19)24-12-13-25-20)17-6-7-18(21-14-17)23-15-16-4-2-1-3-5-16/h1-7,14,22H,8-13,15H2.
What are the key properties of 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 341.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-phenylmethoxy-3-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 59361618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).