1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H31NO5 — CID 18880731

IUPAC1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(OCc2ccccc2)c(OCC)c1
InChIInChI=1S/C31H31NO5/c1-5-14-32-27(26-28(33)23-16-19(3)15-20(4)29(23)37-30(26)31(32)34)22-12-13-24(25(17-22)35-6-2)36-18-21-10-8-7-9-11-21/h7-13,15-17,27H,5-6,14,18H2,1-4H3
InChIKeySPDAAQSTTOBLBB-UHFFFAOYSA-N
MW497.59 g/mol
LogP6.34
Rot. Bonds8

About 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880731) has the molecular formula C31H31NO5 and a molecular weight of 497.59 g/mol. Its IUPAC name is 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880731
Molecular FormulaC31H31NO5
Molecular Weight497.59 g/mol
Exact Mass497.22
IUPAC Name1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(OCc2ccccc2)c(OCC)c1
InChIInChI=1S/C31H31NO5/c1-5-14-32-27(26-28(33)23-16-19(3)15-20(4)29(23)37-30(26)31(32)34)22-12-13-24(25(17-22)35-6-2)36-18-21-10-8-7-9-11-21/h7-13,15-17,27H,5-6,14,18H2,1-4H3
InChIKeySPDAAQSTTOBLBB-UHFFFAOYSA-N
XLogP6.34
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-diethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880728
1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880816
2-(3-hydroxypropyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880576
1-(3-ethoxy-4-hydroxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880704
1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881201
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109018
2-(2-hydroxyethyl)-5,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880539
7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882388
2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880950
2-benzyl-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809675
1-(3-ethoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109027
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820076

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880731) is 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(OCc2ccccc2)c(OCC)c1.
What is the InChIKey of 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SPDAAQSTTOBLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO5/c1-5-14-32-27(26-28(33)23-16-19(3)15-20(4)29(23)37-30(26)31(32)34)22-12-13-24(25(17-22)35-6-2)36-18-21-10-8-7-9-11-21/h7-13,15-17,27H,5-6,14,18H2,1-4H3.
What are the key properties of 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 497.59 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).