2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H27NO4 — CID 19109109

IUPAC2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C25H27NO4/c1-14(2)17-6-8-18(9-7-17)22-21-23(27)20-16(4)12-15(3)13-19(20)30-24(21)25(28)26(22)10-11-29-5/h6-9,12-14,22H,10-11H2,1-5H3
InChIKeyVBBUSMNHRIEPOQ-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.72
Rot. Bonds5

About 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19109109) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19109109
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C25H27NO4/c1-14(2)17-6-8-18(9-7-17)22-21-23(27)20-16(4)12-15(3)13-19(20)30-24(21)25(28)26(22)10-11-29-5/h6-9,12-14,22H,10-11H2,1-5H3
InChIKeyVBBUSMNHRIEPOQ-UHFFFAOYSA-N
XLogP4.72
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762
1-(4-tert-butylphenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890746
2-(2-methoxyethyl)-6,8-dimethyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108947
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890858
(1S)-6,8-dimethyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638894
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108749
2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108730
(1R)-6,8-dimethyl-1-(4-methylsulfanylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316827
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890659
(1S)-2-(2-hydroxyethyl)-6,8-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638926

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19109109) is 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VBBUSMNHRIEPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-14(2)17-6-8-18(9-7-17)22-21-23(27)20-16(4)12-15(3)13-19(20)30-24(21)25(28)26(22)10-11-29-5/h6-9,12-14,22H,10-11H2,1-5H3.
What are the key properties of 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 405.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19109109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).