4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H21FN2O3 — CID 66784058

IUPAC4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O3/c21-15-2-1-3-17(12-15)23-14-20(26-13-19(23)25)8-10-22(11-9-20)16-4-6-18(24)7-5-16/h1-7,12,24H,8-11,13-14H2
InChIKeyPYJPRGZOQNJLPL-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.93
Rot. Bonds2

About 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66784058) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66784058
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O3/c21-15-2-1-3-17(12-15)23-14-20(26-13-19(23)25)8-10-22(11-9-20)16-4-6-18(24)7-5-16/h1-7,12,24H,8-11,13-14H2
InChIKeyPYJPRGZOQNJLPL-UHFFFAOYSA-N
XLogP2.93
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562522
4-(4-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567550
4-(3-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567552
4-(2-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567618
9-(2-Hydroxy-2-phenylethyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 44381818
1-[4-(4-Hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 78777397
(4aS,9aS)-7-[(4-hydroxyphenyl)methyl]-4-phenyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134807435
(4aS,9aS)-7-[(2-hydroxyphenyl)methyl]-4-phenyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134810679
4-{4-[4-(2,2,2-Trifluoroethyl)morpholine-3-carbonyl]piperazin-1-yl}phenol
CID 137845044
4-(4-fluorophenyl)-9-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15979068
4-(4-fluorophenyl)-9-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15979322
4-(3,4-Difluorophenyl)-9-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15980160

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66784058) is 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PYJPRGZOQNJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-15-2-1-3-17(12-15)23-14-20(26-13-19(23)25)8-10-22(11-9-20)16-4-6-18(24)7-5-16/h1-7,12,24H,8-11,13-14H2.
What are the key properties of 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66784058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).