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

C30H28FNO4 — CID 15991349

IUPAC1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H28FNO4/c1-30(2,3)20-9-7-19(8-10-20)26-25-27(33)23-17-21(31)11-14-24(23)36-28(25)29(34)32(26)16-15-18-5-12-22(35-4)13-6-18/h5-14,17,26H,15-16H2,1-4H3
InChIKeyFCNVWJMVIKAWMC-UHFFFAOYSA-N
MW485.56 g/mol
LogP6.03
Rot. Bonds5

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

1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 15991349) has the molecular formula C30H28FNO4 and a molecular weight of 485.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID15991349
Molecular FormulaC30H28FNO4
Molecular Weight485.56 g/mol
Exact Mass485.20
IUPAC Name1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H28FNO4/c1-30(2,3)20-9-7-19(8-10-20)26-25-27(33)23-17-21(31)11-14-24(23)36-28(25)29(34)32(26)16-15-18-5-12-22(35-4)13-6-18/h5-14,17,26H,15-16H2,1-4H3
InChIKeyFCNVWJMVIKAWMC-UHFFFAOYSA-N
XLogP6.03
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 15991349) is 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FCNVWJMVIKAWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FNO4/c1-30(2,3)20-9-7-19(8-10-20)26-25-27(33)23-17-21(31)11-14-24(23)36-28(25)29(34)32(26)16-15-18-5-12-22(35-4)13-6-18/h5-14,17,26H,15-16H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 485.56 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 15991349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).