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

C15H19ClO3 — CID 59186648

IUPAC8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(Cc2ccccc2Cl)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19ClO3/c16-13-4-2-1-3-12(13)11-14(17)5-7-15(8-6-14)18-9-10-19-15/h1-4,17H,5-11H2
InChIKeyQYAKWDRMWMVBEM-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.93
Rot. Bonds2

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

8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 59186648) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID59186648
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(Cc2ccccc2Cl)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19ClO3/c16-13-4-2-1-3-12(13)11-14(17)5-7-15(8-6-14)18-9-10-19-15/h1-4,17H,5-11H2
InChIKeyQYAKWDRMWMVBEM-UHFFFAOYSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 59186648) is 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol is OC1(Cc2ccccc2Cl)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is QYAKWDRMWMVBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c16-13-4-2-1-3-12(13)11-14(17)5-7-15(8-6-14)18-9-10-19-15/h1-4,17H,5-11H2.
What are the key properties of 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 282.77 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 59186648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).