3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane

C20H23NO4 — CID 123855223

IUPAC3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane
SMILESCOc1ccc(C2=NOC3(CCOC3)C2)cc1Oc1ccccc1.[3H]C
InChIInChI=1S/C19H19NO4.CH4/c1-21-17-8-7-14(11-18(17)23-15-5-3-2-4-6-15)16-12-19(24-20-16)9-10-22-13-19;/h2-8,11H,9-10,12-13H2,1H3;1H4/i;1T
InChIKeyCQAPLADHEYSQFJ-WMTCLNHOSA-N
MW343.42 g/mol
LogP4.41
Rot. Bonds4

About 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane

3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane (PubChem CID 123855223) has the molecular formula C20H23NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane.

Molecular Properties

Compound Name3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane
PubChem CID123855223
Molecular FormulaC20H23NO4
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane
SMILESCOc1ccc(C2=NOC3(CCOC3)C2)cc1Oc1ccccc1.[3H]C
InChIInChI=1S/C19H19NO4.CH4/c1-21-17-8-7-14(11-18(17)23-15-5-3-2-4-6-15)16-12-19(24-20-16)9-10-22-13-19;/h2-8,11H,9-10,12-13H2,1H3;1H4/i;1T
InChIKeyCQAPLADHEYSQFJ-WMTCLNHOSA-N
XLogP4.41
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate
CID 90844099
(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 25010290
3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
CID 58115383
3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 57434208
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide
CID 142781940
2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
CID 25008564
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 11499898
2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
CID 135869570
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid
CID 66842306
3-(4-butoxy-3-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 11631842
3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 11559801
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide
CID 25009375

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane?
The IUPAC name of 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane (CID 123855223) is 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane.
What is the SMILES notation for 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane?
The canonical SMILES for 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane is COc1ccc(C2=NOC3(CCOC3)C2)cc1Oc1ccccc1.[3H]C.
What is the InChIKey of 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane?
The InChIKey is CQAPLADHEYSQFJ-WMTCLNHOSA-N. The full InChI is InChI=1S/C19H19NO4.CH4/c1-21-17-8-7-14(11-18(17)23-15-5-3-2-4-6-15)16-12-19(24-20-16)9-10-22-13-19;/h2-8,11H,9-10,12-13H2,1H3;1H4/i;1T.
What are the key properties of 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane?
3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane has a molecular weight of 343.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane is sourced from PubChem (CID 123855223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).