2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H29NO6 — CID 19108730

IUPAC2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C30H29NO6/c1-18-14-19(2)25-24(15-18)37-29-26(28(25)32)27(31(30(29)33)12-13-34-3)21-10-11-22(23(16-21)35-4)36-17-20-8-6-5-7-9-20/h5-11,14-16,27H,12-13,17H2,1-4H3
InChIKeyROSILAZXNLBYMF-UHFFFAOYSA-N
MW499.56 g/mol
LogP5.19
Rot. Bonds8

About 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19108730) has the molecular formula C30H29NO6 and a molecular weight of 499.56 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19108730
Molecular FormulaC30H29NO6
Molecular Weight499.56 g/mol
Exact Mass499.20
IUPAC Name2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C30H29NO6/c1-18-14-19(2)25-24(15-18)37-29-26(28(25)32)27(31(30(29)33)12-13-34-3)21-10-11-22(23(16-21)35-4)36-17-20-8-6-5-7-9-20/h5-11,14-16,27H,12-13,17H2,1-4H3
InChIKeyROSILAZXNLBYMF-UHFFFAOYSA-N
XLogP5.19
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109018
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
1-(3-ethoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109027
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890705
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890941
1-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890726
6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890913
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109178
2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109174
2-(3-hydroxypropyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880576
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19108730) is 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ROSILAZXNLBYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO6/c1-18-14-19(2)25-24(15-18)37-29-26(28(25)32)27(31(30(29)33)12-13-34-3)21-10-11-22(23(16-21)35-4)36-17-20-8-6-5-7-9-20/h5-11,14-16,27H,12-13,17H2,1-4H3.
What are the key properties of 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 499.56 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19108730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).