3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol

C16H23NO3 — CID 43741833

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol
SMILESCc1ccc(NC2CCC3(CC2)OCCO3)c(C)c1O
InChIInChI=1S/C16H23NO3/c1-11-3-4-14(12(2)15(11)18)17-13-5-7-16(8-6-13)19-9-10-20-16/h3-4,13,17-18H,5-10H2,1-2H3
InChIKeyBZVWETYSQMZCQR-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.11
Rot. Bonds2

About 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol

3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol (PubChem CID 43741833) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol
PubChem CID43741833
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol
SMILESCc1ccc(NC2CCC3(CC2)OCCO3)c(C)c1O
InChIInChI=1S/C16H23NO3/c1-11-3-4-14(12(2)15(11)18)17-13-5-7-16(8-6-13)19-9-10-20-16/h3-4,13,17-18H,5-10H2,1-2H3
InChIKeyBZVWETYSQMZCQR-UHFFFAOYSA-N
XLogP3.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol (CID 43741833) is 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol is Cc1ccc(NC2CCC3(CC2)OCCO3)c(C)c1O.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol?
The InChIKey is BZVWETYSQMZCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-3-4-14(12(2)15(11)18)17-13-5-7-16(8-6-13)19-9-10-20-16/h3-4,13,17-18H,5-10H2,1-2H3.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol?
3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol has a molecular weight of 277.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol is sourced from PubChem (CID 43741833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).