2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol

C16H23NO4 — CID 124885360

IUPAC2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol
SMILESCOc1cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1O
InChIInChI=1S/C16H23NO4/c1-12-8-17(10-16(21-12)5-6-20-11-16)9-13-3-4-14(18)15(7-13)19-2/h3-4,7,12,18H,5-6,8-11H2,1-2H3/t12-,16-/m0/s1
InChIKeyFUIGFZQMSNWVRF-LRDDRELGSA-N
MW293.36 g/mol
LogP1.78
Rot. Bonds3

About 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol

2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol (PubChem CID 124885360) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol
PubChem CID124885360
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol
SMILESCOc1cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1O
InChIInChI=1S/C16H23NO4/c1-12-8-17(10-16(21-12)5-6-20-11-16)9-13-3-4-14(18)15(7-13)19-2/h3-4,7,12,18H,5-6,8-11H2,1-2H3/t12-,16-/m0/s1
InChIKeyFUIGFZQMSNWVRF-LRDDRELGSA-N
XLogP1.78
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol (CID 124885360) is 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol is COc1cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol?
The InChIKey is FUIGFZQMSNWVRF-LRDDRELGSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-8-17(10-16(21-12)5-6-20-11-16)9-13-3-4-14(18)15(7-13)19-2/h3-4,7,12,18H,5-6,8-11H2,1-2H3/t12-,16-/m0/s1.
What are the key properties of 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol?
2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol has a molecular weight of 293.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol is sourced from PubChem (CID 124885360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).