1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H29NO5 — CID 18853964

IUPAC1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1OCC(C)C
InChIInChI=1S/C30H29NO5/c1-17(2)16-35-24-13-9-20(15-25(24)34-5)27-26-28(32)22-14-19(4)8-12-23(22)36-29(26)30(33)31(27)21-10-6-18(3)7-11-21/h6-15,17,27H,16H2,1-5H3
InChIKeyIZABDUZYLCWBPD-UHFFFAOYSA-N
MW483.56 g/mol
LogP6.20
Rot. Bonds6

About 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853964) has the molecular formula C30H29NO5 and a molecular weight of 483.56 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853964
Molecular FormulaC30H29NO5
Molecular Weight483.56 g/mol
Exact Mass483.20
IUPAC Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1OCC(C)C
InChIInChI=1S/C30H29NO5/c1-17(2)16-35-24-13-9-20(15-25(24)34-5)27-26-28(32)22-14-19(4)8-12-23(22)36-29(26)30(33)31(27)21-10-6-18(3)7-11-21/h6-15,17,27H,16H2,1-5H3
InChIKeyIZABDUZYLCWBPD-UHFFFAOYSA-N
XLogP6.20
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(4-ethylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854293
7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854291
2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858240
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852399
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523
2-(4-methoxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857791
7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819700
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706685
(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023225
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858077
7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856243
2-(3-chloro-4-methylphenyl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857532

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853964) is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1OCC(C)C.
What is the InChIKey of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IZABDUZYLCWBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO5/c1-17(2)16-35-24-13-9-20(15-25(24)34-5)27-26-28(32)22-14-19(4)8-12-23(22)36-29(26)30(33)31(27)21-10-6-18(3)7-11-21/h6-15,17,27H,16H2,1-5H3.
What are the key properties of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 483.56 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).