2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO5 — CID 19114001

IUPAC2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H27NO5/c1-2-33-18-8-17-30-26(21-13-15-22(16-14-21)34-19-20-9-4-3-5-10-20)25-27(31)23-11-6-7-12-24(23)35-28(25)29(30)32/h3-7,9-16,26H,2,8,17-19H2,1H3
InChIKeyQFLWXAYUKUGDCJ-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.34
Rot. Bonds9

About 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19114001) has the molecular formula C29H27NO5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19114001
Molecular FormulaC29H27NO5
Molecular Weight469.54 g/mol
Exact Mass469.19
IUPAC Name2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H27NO5/c1-2-33-18-8-17-30-26(21-13-15-22(16-14-21)34-19-20-9-4-3-5-10-20)25-27(31)23-11-6-7-12-24(23)35-28(25)29(30)32/h3-7,9-16,26H,2,8,17-19H2,1H3
InChIKeyQFLWXAYUKUGDCJ-UHFFFAOYSA-N
XLogP5.34
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-(3-ethoxypropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849886
1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113855
2-(3-ethoxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113989
2-(2-morpholin-4-ylethyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709207
(1R)-1-(3-ethoxyphenyl)-2-(3-ethoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849884
2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472568
(1R)-2-(3-ethoxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849874
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5168164
1-(4-butoxyphenyl)-2-[3-(dibutylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702821
(1R)-1-(3-ethoxy-4-propoxyphenyl)-2-(3-ethoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849870
(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849894
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19114001) is 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QFLWXAYUKUGDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO5/c1-2-33-18-8-17-30-26(21-13-15-22(16-14-21)34-19-20-9-4-3-5-10-20)25-27(31)23-11-6-7-12-24(23)35-28(25)29(30)32/h3-7,9-16,26H,2,8,17-19H2,1H3.
What are the key properties of 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 469.54 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19114001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).