(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H18FNO6 — CID 2038698

IUPAC(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C21H18FNO6/c1-27-8-7-23-18(11-3-5-14(24)16(9-11)28-2)17-19(25)13-10-12(22)4-6-15(13)29-20(17)21(23)26/h3-6,9-10,18,24H,7-8H2,1-2H3/t18-/m1/s1
InChIKeySJNFYJSMUPAXBU-GOSISDBHSA-N
MW399.37 g/mol
LogP2.84
Rot. Bonds5

About (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2038698) has the molecular formula C21H18FNO6 and a molecular weight of 399.37 g/mol. Its IUPAC name is (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2038698
Molecular FormulaC21H18FNO6
Molecular Weight399.37 g/mol
Exact Mass399.11
IUPAC Name(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C21H18FNO6/c1-27-8-7-23-18(11-3-5-14(24)16(9-11)28-2)17-19(25)13-10-12(22)4-6-15(13)29-20(17)21(23)26/h3-6,9-10,18,24H,7-8H2,1-2H3/t18-/m1/s1
InChIKeySJNFYJSMUPAXBU-GOSISDBHSA-N
XLogP2.84
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(dimethylamino)ethyl]-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705759
(1S)-2-benzyl-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315202
7-fluoro-2-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4859981
7-fluoro-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855603
7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706574
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40722140
7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706175
1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706025
2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2955020
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709464
(1S)-1-(3,4-dimethoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835415
7-fluoro-2-(2-methoxyethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3710556

Frequently Asked Questions

What is the IUPAC name of (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2038698) is (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1.
What is the InChIKey of (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SJNFYJSMUPAXBU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18FNO6/c1-27-8-7-23-18(11-3-5-14(24)16(9-11)28-2)17-19(25)13-10-12(22)4-6-15(13)29-20(17)21(23)26/h3-6,9-10,18,24H,7-8H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 399.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2038698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).