4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol

C16H23NO3 — CID 61238378

IUPAC4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO3/c18-15-3-1-13(2-4-15)7-10-17-14-5-8-16(9-6-14)19-11-12-20-16/h1-4,14,17-18H,5-12H2
InChIKeyOJIKEZJLYNGNTJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.21
Rot. Bonds4

About 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol

4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol (PubChem CID 61238378) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol
PubChem CID61238378
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO3/c18-15-3-1-13(2-4-15)7-10-17-14-5-8-16(9-6-14)19-11-12-20-16/h1-4,14,17-18H,5-12H2
InChIKeyOJIKEZJLYNGNTJ-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol (CID 61238378) is 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol is Oc1ccc(CCNC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol?
The InChIKey is OJIKEZJLYNGNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-15-3-1-13(2-4-15)7-10-17-14-5-8-16(9-6-14)19-11-12-20-16/h1-4,14,17-18H,5-12H2.
What are the key properties of 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol?
4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol has a molecular weight of 277.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol is sourced from PubChem (CID 61238378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).