1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H27NO5 — CID 73220400

IUPAC1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)C2=C(C(=O)C3C(C)CC(C)CC3O2)C1c1cccc(O)c1
InChIInChI=1S/C22H27NO5/c1-12-9-13(2)17-16(10-12)28-21-18(20(17)25)19(14-5-4-6-15(24)11-14)23(22(21)26)7-8-27-3/h4-6,11-13,16-17,19,24H,7-10H2,1-3H3
InChIKeyJUUIHXFTEGCRHD-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.83
Rot. Bonds4

About 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 73220400) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID73220400
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)C2=C(C(=O)C3C(C)CC(C)CC3O2)C1c1cccc(O)c1
InChIInChI=1S/C22H27NO5/c1-12-9-13(2)17-16(10-12)28-21-18(20(17)25)19(14-5-4-6-15(24)11-14)23(22(21)26)7-8-27-3/h4-6,11-13,16-17,19,24H,7-10H2,1-3H3
InChIKeyJUUIHXFTEGCRHD-UHFFFAOYSA-N
XLogP2.83
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-fluoro-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78247500
2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78248881
7-chloro-2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-6-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78248913
1-(3-hydroxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78244372
2-(2-methoxyethyl)-1-(3-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261410
2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78247894
2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78247901
2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255036
1-(4-fluorophenyl)-2-(2-methoxyethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74715953
1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261420
7-fluoro-2-(2-methoxyethyl)-1-(3-prop-2-enoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261575
2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74685362

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 73220400) is 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)C2=C(C(=O)C3C(C)CC(C)CC3O2)C1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JUUIHXFTEGCRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-12-9-13(2)17-16(10-12)28-21-18(20(17)25)19(14-5-4-6-15(24)11-14)23(22(21)26)7-8-27-3/h4-6,11-13,16-17,19,24H,7-10H2,1-3H3.
What are the key properties of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 385.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 73220400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).