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

C32H25NO5 — CID 18809613

IUPAC2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C32H25NO5/c1-36-27-18-23(16-17-26(27)37-20-22-12-6-3-7-13-22)29-28-30(34)24-14-8-9-15-25(24)38-31(28)32(35)33(29)19-21-10-4-2-5-11-21/h2-18,29H,19-20H2,1H3
InChIKeyVENRBWJSEPAPPO-UHFFFAOYSA-N
MW503.55 g/mol
LogP6.13
Rot. Bonds7

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

2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809613) has the molecular formula C32H25NO5 and a molecular weight of 503.55 g/mol. Its IUPAC name is 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18809613
Molecular FormulaC32H25NO5
Molecular Weight503.55 g/mol
Exact Mass503.17
IUPAC Name2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C32H25NO5/c1-36-27-18-23(16-17-26(27)37-20-22-12-6-3-7-13-22)29-28-30(34)24-14-8-9-15-25(24)38-31(28)32(35)33(29)19-21-10-4-2-5-11-21/h2-18,29H,19-20H2,1H3
InChIKeyVENRBWJSEPAPPO-UHFFFAOYSA-N
XLogP6.13
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809675
2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702720
7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810334
1-(4-ethoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809567
1-(4-butoxy-3-methoxyphenyl)-2-[(4-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113956
2-(3-chlorophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852440
2-benzyl-7-bromo-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136138
(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010916
2-(5-chloro-2-pyridinyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819144
(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034380
7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810672
1-(3,4-diethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820026

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809613) is 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VENRBWJSEPAPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO5/c1-36-27-18-23(16-17-26(27)37-20-22-12-6-3-7-13-22)29-28-30(34)24-14-8-9-15-25(24)38-31(28)32(35)33(29)19-21-10-4-2-5-11-21/h2-18,29H,19-20H2,1H3.
What are the key properties of 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 503.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).