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

C33H27NO4 — CID 18880970

IUPAC2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)C3=O
InChIInChI=1S/C33H27NO4/c1-21-16-22(2)31-27(17-21)30(35)28-29(34(33(36)32(28)38-31)19-23-10-5-3-6-11-23)25-14-9-15-26(18-25)37-20-24-12-7-4-8-13-24/h3-18,29H,19-20H2,1-2H3
InChIKeyXESBGJFPLCFNJK-UHFFFAOYSA-N
MW501.58 g/mol
LogP6.73
Rot. Bonds6

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

2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880970) has the molecular formula C33H27NO4 and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880970
Molecular FormulaC33H27NO4
Molecular Weight501.58 g/mol
Exact Mass501.19
IUPAC Name2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)C3=O
InChIInChI=1S/C33H27NO4/c1-21-16-22(2)31-27(17-21)30(35)28-29(34(33(36)32(28)38-31)19-23-10-5-3-6-11-23)25-14-9-15-26(18-25)37-20-24-12-7-4-8-13-24/h3-18,29H,19-20H2,1-2H3
InChIKeyXESBGJFPLCFNJK-UHFFFAOYSA-N
XLogP6.73
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-5,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880966
2-benzyl-5,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880971
5,7-dimethyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881014
2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880942
2-benzyl-7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882527
2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880950
1-(3-butoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881252
2-(2-hydroxyethyl)-5,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880539
1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881157
2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820073
2-(2-hydroxyethyl)-5,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880544
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882479

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880970) is 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)C3=O.
What is the InChIKey of 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XESBGJFPLCFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO4/c1-21-16-22(2)31-27(17-21)30(35)28-29(34(33(36)32(28)38-31)19-23-10-5-3-6-11-23)25-14-9-15-26(18-25)37-20-24-12-7-4-8-13-24/h3-18,29H,19-20H2,1-2H3.
What are the key properties of 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 501.58 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).