7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H32ClNO5 — CID 18882550

IUPAC7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C32H32ClNO5/c1-5-6-7-14-38-25-13-12-22(16-27(25)37-4)29-28-30(35)23-17-24(33)20(3)15-26(23)39-31(28)32(36)34(29)18-21-10-8-19(2)9-11-21/h8-13,15-17,29H,5-7,14,18H2,1-4H3
InChIKeyPDFXLKMPVHTQSY-UHFFFAOYSA-N
MW546.06 g/mol
LogP7.39
Rot. Bonds9

About 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882550) has the molecular formula C32H32ClNO5 and a molecular weight of 546.06 g/mol. Its IUPAC name is 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882550
Molecular FormulaC32H32ClNO5
Molecular Weight546.06 g/mol
Exact Mass545.20
IUPAC Name7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C32H32ClNO5/c1-5-6-7-14-38-25-13-12-22(16-27(25)37-4)29-28-30(35)23-17-24(33)20(3)15-26(23)39-31(28)32(36)34(29)18-21-10-8-19(2)9-11-21/h8-13,15-17,29H,5-7,14,18H2,1-4H3
InChIKeyPDFXLKMPVHTQSY-UHFFFAOYSA-N
XLogP7.39
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.06
LogP ≤ 57.39
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

7-chloro-2-[(2-chlorophenyl)methyl]-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882598
7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882590
7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882587
7-chloro-1-(3-methoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882738
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882444
7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882576
2-[(2-chlorophenyl)methyl]-1-(4-hexoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18811029
2-butyl-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882306
7-chloro-1-(3-ethoxy-4-propoxyphenyl)-2-[(4-fluorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882675
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810214
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259
1-(4-butoxy-3-ethoxyphenyl)-7-chloro-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882288

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882550) is 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PDFXLKMPVHTQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClNO5/c1-5-6-7-14-38-25-13-12-22(16-27(25)37-4)29-28-30(35)23-17-24(33)20(3)15-26(23)39-31(28)32(36)34(29)18-21-10-8-19(2)9-11-21/h8-13,15-17,29H,5-7,14,18H2,1-4H3.
What are the key properties of 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 546.06 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).