9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C18H26FNO3 — CID 135091697

IUPAC9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1cc(F)ccc1CN1CCC2(CC1)CC(C)(O)CCO2
InChIInChI=1S/C18H26FNO3/c1-17(21)7-10-23-18(13-17)5-8-20(9-6-18)12-14-3-4-15(19)11-16(14)22-2/h3-4,11,21H,5-10,12-13H2,1-2H3
InChIKeyOJRKVOUMOJZYBQ-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.73
Rot. Bonds3

About 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 135091697) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID135091697
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1cc(F)ccc1CN1CCC2(CC1)CC(C)(O)CCO2
InChIInChI=1S/C18H26FNO3/c1-17(21)7-10-23-18(13-17)5-8-20(9-6-18)12-14-3-4-15(19)11-16(14)22-2/h3-4,11,21H,5-10,12-13H2,1-2H3
InChIKeyOJRKVOUMOJZYBQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[[2-(difluoromethoxy)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916360
9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135090543
9-benzyl-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916082
(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424895
4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091088
1-[(2-amino-5-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403847
4-fluoro-2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzonitrile
CID 80702243
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 135094324
4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135113041
(3S,4S)-9-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 135119088
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 135091697) is 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is COc1cc(F)ccc1CN1CCC2(CC1)CC(C)(O)CCO2.
What is the InChIKey of 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is OJRKVOUMOJZYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-17(21)7-10-23-18(13-17)5-8-20(9-6-18)12-14-3-4-15(19)11-16(14)22-2/h3-4,11,21H,5-10,12-13H2,1-2H3.
What are the key properties of 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 323.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 135091697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).