7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H18FNO5 — CID 4706574

IUPAC7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C21H18FNO5/c1-27-10-2-9-23-18(12-3-6-14(24)7-4-12)17-19(25)15-11-13(22)5-8-16(15)28-20(17)21(23)26/h3-8,11,18,24H,2,9-10H2,1H3
InChIKeyOBTIGMBBQHZZAW-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.22
Rot. Bonds5

About 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706574) has the molecular formula C21H18FNO5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706574
Molecular FormulaC21H18FNO5
Molecular Weight383.38 g/mol
Exact Mass383.12
IUPAC Name7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C21H18FNO5/c1-27-10-2-9-23-18(12-3-6-14(24)7-4-12)17-19(25)15-11-13(22)5-8-16(15)28-20(17)21(23)26/h3-8,11,18,24H,2,9-10H2,1H3
InChIKeyOBTIGMBBQHZZAW-UHFFFAOYSA-N
XLogP3.22
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4859981
7-chloro-1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706113
(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2038698
2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2955020
7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706605
(1R)-1-(4-bromophenyl)-7-fluoro-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40954645
1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4210008
1-(4-bromophenyl)-7-chloro-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706410
1-(4-tert-butylphenyl)-7-fluoro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3845359
(1S)-1-(3,4-dichlorophenyl)-7-fluoro-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2016622
7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706409
(1R)-7-bromo-1-(4-fluorophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 6587001

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706574) is 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(O)cc1.
What is the InChIKey of 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OBTIGMBBQHZZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5/c1-27-10-2-9-23-18(12-3-6-14(24)7-4-12)17-19(25)15-11-13(22)5-8-16(15)28-20(17)21(23)26/h3-8,11,18,24H,2,9-10H2,1H3.
What are the key properties of 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 383.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).