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

C24H16ClNO4 — CID 2143941

IUPAC(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccccc1Cl
InChIInChI=1S/C24H16ClNO4/c25-18-7-3-1-5-15(18)13-26-21(14-9-11-16(27)12-10-14)20-22(28)17-6-2-4-8-19(17)30-23(20)24(26)29/h1-12,21,27H,13H2/t21-/m0/s1
InChIKeyPEJLKWZTEDVZBP-NRFANRHFSA-N
MW417.85 g/mol
LogP4.90
Rot. Bonds3

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

(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2143941) has the molecular formula C24H16ClNO4 and a molecular weight of 417.85 g/mol. Its IUPAC name is (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2143941
Molecular FormulaC24H16ClNO4
Molecular Weight417.85 g/mol
Exact Mass417.08
IUPAC Name(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccccc1Cl
InChIInChI=1S/C24H16ClNO4/c25-18-7-3-1-5-15(18)13-26-21(14-9-11-16(27)12-10-14)20-22(28)17-6-2-4-8-19(17)30-23(20)24(26)29/h1-12,21,27H,13H2/t21-/m0/s1
InChIKeyPEJLKWZTEDVZBP-NRFANRHFSA-N
XLogP4.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41137997
2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809565
(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40541817
2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4316394
1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4986790
2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702739
7-bromo-1-(4-tert-butylphenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810518
1-(4-chlorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3786941
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809538
1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4678491
2-[(2-chlorophenyl)methyl]-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809720
2-benzyl-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5070099

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2143941) is (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccccc1Cl.
What is the InChIKey of (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PEJLKWZTEDVZBP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H16ClNO4/c25-18-7-3-1-5-15(18)13-26-21(14-9-11-16(27)12-10-14)20-22(28)17-6-2-4-8-19(17)30-23(20)24(26)29/h1-12,21,27H,13H2/t21-/m0/s1.
What are the key properties of (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 417.85 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2143941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).