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

C18H12ClNO4 — CID 2987108

IUPAC7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C18H12ClNO4/c1-20-15(9-2-5-11(21)6-3-9)14-16(22)12-8-10(19)4-7-13(12)24-17(14)18(20)23/h2-8,15,21H,1H3
InChIKeyIFGNEXNSWNOCRF-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.33
Rot. Bonds1

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

7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2987108) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2987108
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC Name7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C18H12ClNO4/c1-20-15(9-2-5-11(21)6-3-9)14-16(22)12-8-10(19)4-7-13(12)24-17(14)18(20)23/h2-8,15,21H,1H3
InChIKeyIFGNEXNSWNOCRF-UHFFFAOYSA-N
XLogP3.33
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7388458
7-chloro-1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706113
(1S)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144422
(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7734746
7-chloro-2-methyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879694
7-chloro-1-(4-hydroxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706688
7-chloro-2-(5-chloro-2-pyridinyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5110956
7-chloro-1-(4-hexoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879709
(1S)-7-chloro-1-(4-chlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417731
(1R)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144291
(1S)-7-fluoro-1-(4-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741478
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2987108) is 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(O)cc1.
What is the InChIKey of 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IFGNEXNSWNOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c1-20-15(9-2-5-11(21)6-3-9)14-16(22)12-8-10(19)4-7-13(12)24-17(14)18(20)23/h2-8,15,21H,1H3.
What are the key properties of 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 341.75 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2987108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).