2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22ClNO5 — CID 18890784

IUPAC2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccccc2Cl)ccc1O
InChIInChI=1S/C27H22ClNO5/c1-14-10-15(2)22-21(11-14)34-26-23(25(22)31)24(16-8-9-19(30)20(12-16)33-3)29(27(26)32)13-17-6-4-5-7-18(17)28/h4-12,24,30H,13H2,1-3H3
InChIKeyUPQQHIKBRXQOHO-UHFFFAOYSA-N
MW475.93 g/mol
LogP5.52
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890784) has the molecular formula C27H22ClNO5 and a molecular weight of 475.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890784
Molecular FormulaC27H22ClNO5
Molecular Weight475.93 g/mol
Exact Mass475.12
IUPAC Name2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccccc2Cl)ccc1O
InChIInChI=1S/C27H22ClNO5/c1-14-10-15(2)22-21(11-14)34-26-23(25(22)31)24(16-8-9-19(30)20(12-16)33-3)29(27(26)32)13-17-6-4-5-7-18(17)28/h4-12,24,30H,13H2,1-3H3
InChIKeyUPQQHIKBRXQOHO-UHFFFAOYSA-N
XLogP5.52
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.93
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890938
1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108823
1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890786
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638904
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762
2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810283
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109184
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890835
1-(4-butoxy-3-methoxyphenyl)-2-[(2-chlorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809835
2-[(2-chlorophenyl)methyl]-1-(4-hexoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18811029
(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143970

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890784) is 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccccc2Cl)ccc1O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UPQQHIKBRXQOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO5/c1-14-10-15(2)22-21(11-14)34-26-23(25(22)31)24(16-8-9-19(30)20(12-16)33-3)29(27(26)32)13-17-6-4-5-7-18(17)28/h4-12,24,30H,13H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 475.93 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).