1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H33NO5 — CID 18880816

IUPAC1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C32H33NO5/c1-5-6-10-15-33-28(23-13-14-25(26(18-23)36-4)37-19-22-11-8-7-9-12-22)27-29(34)24-17-20(2)16-21(3)30(24)38-31(27)32(33)35/h7-9,11-14,16-18,28H,5-6,10,15,19H2,1-4H3
InChIKeyNRBZOYDZYTZKMQ-UHFFFAOYSA-N
MW511.62 g/mol
LogP6.73
Rot. Bonds9

About 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880816) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880816
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C32H33NO5/c1-5-6-10-15-33-28(23-13-14-25(26(18-23)36-4)37-19-22-11-8-7-9-12-22)27-29(34)24-17-20(2)16-21(3)30(24)38-31(27)32(33)35/h7-9,11-14,16-18,28H,5-6,10,15,19H2,1-4H3
InChIKeyNRBZOYDZYTZKMQ-UHFFFAOYSA-N
XLogP6.73
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 56.73
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

2-(3-hydroxypropyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880576
1-(3-ethoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880731
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880814
2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880950
2-(furan-2-ylmethyl)-1-(4-hexoxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880936
1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881201
1-(3,4-diethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880728
2-(3-hydroxypropyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880574
2-[3-(dimethylamino)propyl]-1-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705942
1-(3-methoxy-4-pentoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706772
2-(1,1-dioxothiolan-3-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19120542
7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882388

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880816) is 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NRBZOYDZYTZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5/c1-5-6-10-15-33-28(23-13-14-25(26(18-23)36-4)37-19-22-11-8-7-9-12-22)27-29(34)24-17-20(2)16-21(3)30(24)38-31(27)32(33)35/h7-9,11-14,16-18,28H,5-6,10,15,19H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 511.62 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).