1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO6 — CID 3763709

IUPAC1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C28H25NO6/c1-16-4-11-22-20(14-16)26(31)24-25(18-7-10-21(30)23(15-18)34-3)29(28(32)27(24)35-22)13-12-17-5-8-19(33-2)9-6-17/h4-11,14-15,25,30H,12-13H2,1-3H3
InChIKeyCLZXUDIFUCOKAZ-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.61
Rot. Bonds6

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

1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3763709) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3763709
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C28H25NO6/c1-16-4-11-22-20(14-16)26(31)24-25(18-7-10-21(30)23(15-18)34-3)29(28(32)27(24)35-22)13-12-17-5-8-19(33-2)9-6-17/h4-11,14-15,25,30H,12-13H2,1-3H3
InChIKeyCLZXUDIFUCOKAZ-UHFFFAOYSA-N
XLogP4.61
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706656
2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4035612
2-(3-hydroxypropyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3780511
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809849
(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143970
7-chloro-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3501356
(1S)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841816
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40722140
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706685
(1R)-2-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196564
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144062
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3636822

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3763709) is 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CLZXUDIFUCOKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO6/c1-16-4-11-22-20(14-16)26(31)24-25(18-7-10-21(30)23(15-18)34-3)29(28(32)27(24)35-22)13-12-17-5-8-19(33-2)9-6-17/h4-11,14-15,25,30H,12-13H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 471.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3763709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).