1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO4 — CID 18857557

IUPAC1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C29H27NO4/c1-17-9-14-23-22(15-17)26(31)24-25(18-10-12-19(13-11-18)29(2,3)4)30(28(32)27(24)34-23)20-7-6-8-21(16-20)33-5/h6-16,25H,1-5H3
InChIKeyYLBCVAOEFVVFCI-UHFFFAOYSA-N
MW453.54 g/mol
LogP6.16
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857557) has the molecular formula C29H27NO4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857557
Molecular FormulaC29H27NO4
Molecular Weight453.54 g/mol
Exact Mass453.19
IUPAC Name1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C29H27NO4/c1-17-9-14-23-22(15-17)26(31)24-25(18-10-12-19(13-11-18)29(2,3)4)30(28(32)27(24)34-23)20-7-6-8-21(16-20)33-5/h6-16,25H,1-5H3
InChIKeyYLBCVAOEFVVFCI-UHFFFAOYSA-N
XLogP6.16
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857431
1-(4-chlorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857343
1-(4-tert-butylphenyl)-2-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857546
1-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857521
7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854856
7-bromo-1-(4-methoxyphenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854854
1-(4-tert-butylphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857552
7-methyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857344
1-(4-methoxyphenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852503
2-(3-bromophenyl)-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857357
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857417

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857557) is 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YLBCVAOEFVVFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4/c1-17-9-14-23-22(15-17)26(31)24-25(18-10-12-19(13-11-18)29(2,3)4)30(28(32)27(24)34-23)20-7-6-8-21(16-20)33-5/h6-16,25H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 453.54 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).