2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21NO6 — CID 18880534

IUPAC2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1O
InChIInChI=1S/C22H21NO6/c1-11-8-12(2)20-14(9-11)19(26)17-18(13-4-5-15(25)16(10-13)28-3)23(6-7-24)22(27)21(17)29-20/h4-5,8-10,18,24-25H,6-7H2,1-3H3
InChIKeyUAMHEZMBSVPGNO-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880534) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880534
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1O
InChIInChI=1S/C22H21NO6/c1-11-8-12(2)20-14(9-11)19(26)17-18(13-4-5-15(25)16(10-13)28-3)23(6-7-24)22(27)21(17)29-20/h4-5,8-10,18,24-25H,6-7H2,1-3H3
InChIKeyUAMHEZMBSVPGNO-UHFFFAOYSA-N
XLogP2.66
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(3-ethoxy-4-hydroxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880704
1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 666414
2-(3-hydroxypropyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880574
2-(3-hydroxypropyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880576
2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880950
1-(4-hexoxyphenyl)-2-(2-hydroxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880555
2-(2-hydroxyethyl)-5,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880544
2-(2-hydroxyethyl)-5,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880539
1-(3,4-diethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880728
2-(2-methoxyethyl)-1-(4-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880621
1-(3,4-dichlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881208
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880814

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880534) is 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1O.
What is the InChIKey of 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UAMHEZMBSVPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-11-8-12(2)20-14(9-11)19(26)17-18(13-4-5-15(25)16(10-13)28-3)23(6-7-24)22(27)21(17)29-20/h4-5,8-10,18,24-25H,6-7H2,1-3H3.
What are the key properties of 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 395.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).