3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol

C19H27NO4 — CID 124622135

IUPAC3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol
SMILESOc1cccc([C@@H]2CN(CC3CCC4(CC3)OCCO4)CCO2)c1
InChIInChI=1S/C19H27NO4/c21-17-3-1-2-16(12-17)18-14-20(8-9-22-18)13-15-4-6-19(7-5-15)23-10-11-24-19/h1-3,12,15,18,21H,4-11,13-14H2/t18-/m0/s1
InChIKeyCLJFFXGASRBAJM-SFHVURJKSA-N
MW333.43 g/mol
LogP2.70
Rot. Bonds3

About 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol

3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol (PubChem CID 124622135) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol
PubChem CID124622135
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol
SMILESOc1cccc([C@@H]2CN(CC3CCC4(CC3)OCCO4)CCO2)c1
InChIInChI=1S/C19H27NO4/c21-17-3-1-2-16(12-17)18-14-20(8-9-22-18)13-15-4-6-19(7-5-15)23-10-11-24-19/h1-3,12,15,18,21H,4-11,13-14H2/t18-/m0/s1
InChIKeyCLJFFXGASRBAJM-SFHVURJKSA-N
XLogP2.70
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol?
The IUPAC name of 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol (CID 124622135) is 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol.
What is the SMILES notation for 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol?
The canonical SMILES for 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol is Oc1cccc([C@@H]2CN(CC3CCC4(CC3)OCCO4)CCO2)c1.
What is the InChIKey of 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol?
The InChIKey is CLJFFXGASRBAJM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27NO4/c21-17-3-1-2-16(12-17)18-14-20(8-9-22-18)13-15-4-6-19(7-5-15)23-10-11-24-19/h1-3,12,15,18,21H,4-11,13-14H2/t18-/m0/s1.
What are the key properties of 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol?
3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol has a molecular weight of 333.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol is sourced from PubChem (CID 124622135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).