7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H22BrNO5 — CID 18820383

IUPAC7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)OCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C23H22BrNO5/c1-13(2)29-10-4-9-25-20(14-5-3-6-16(26)11-14)19-21(27)17-12-15(24)7-8-18(17)30-22(19)23(25)28/h3,5-8,11-13,20,26H,4,9-10H2,1-2H3
InChIKeyACYFZMXXHCFZFF-UHFFFAOYSA-N
MW472.34 g/mol
LogP4.62
Rot. Bonds6

About 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820383) has the molecular formula C23H22BrNO5 and a molecular weight of 472.34 g/mol. Its IUPAC name is 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18820383
Molecular FormulaC23H22BrNO5
Molecular Weight472.34 g/mol
Exact Mass471.07
IUPAC Name7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)OCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C23H22BrNO5/c1-13(2)29-10-4-9-25-20(14-5-3-6-16(26)11-14)19-21(27)17-12-15(24)7-8-18(17)30-22(19)23(25)28/h3,5-8,11-13,20,26H,4,9-10H2,1-2H3
InChIKeyACYFZMXXHCFZFF-UHFFFAOYSA-N
XLogP4.62
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 54.62
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-bromo-1-phenyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3891711
7-bromo-1-(3-nitrophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2963596
(1S)-7-bromo-1-(4-fluorophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2005470
(1R)-7-bromo-1-(4-fluorophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 6587001
(1R)-1-(4-bromophenyl)-7-methyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2019658
(1R)-1-(4-bromophenyl)-7-fluoro-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40954645
1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108837
(1R)-7-bromo-2-(3-hydroxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41028049
7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4996012
(1S)-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314851
(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851037
(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316000

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820383) is 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)OCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccc(O)c1.
What is the InChIKey of 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ACYFZMXXHCFZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO5/c1-13(2)29-10-4-9-25-20(14-5-3-6-16(26)11-14)19-21(27)17-12-15(24)7-8-18(17)30-22(19)23(25)28/h3,5-8,11-13,20,26H,4,9-10H2,1-2H3.
What are the key properties of 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 472.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).