2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H20ClNO5 — CID 18852229

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(Oc3ccccc3)c2)cc1Cl
InChIInChI=1S/C30H20ClNO5/c1-35-25-15-14-19(17-23(25)31)32-27(18-8-7-11-21(16-18)36-20-9-3-2-4-10-20)26-28(33)22-12-5-6-13-24(22)37-29(26)30(32)34/h2-17,27H,1H3
InChIKeyIPYCTKYFYVZDQM-UHFFFAOYSA-N
MW509.95 g/mol
LogP7.00
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852229) has the molecular formula C30H20ClNO5 and a molecular weight of 509.95 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852229
Molecular FormulaC30H20ClNO5
Molecular Weight509.95 g/mol
Exact Mass509.10
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(Oc3ccccc3)c2)cc1Cl
InChIInChI=1S/C30H20ClNO5/c1-35-25-15-14-19(17-23(25)31)32-27(18-8-7-11-21(16-18)36-20-9-3-2-4-10-20)26-28(33)22-12-5-6-13-24(22)37-29(26)30(32)34/h2-17,27H,1H3
InChIKeyIPYCTKYFYVZDQM-UHFFFAOYSA-N
XLogP7.00
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.95
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852569
2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852605
2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852055
7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853224
1-(3-methoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852309
1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856392
2-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856677
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855047
2-(4-bromophenyl)-7-chloro-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853221
2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852316
2-(3-chloro-4-methylphenyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852676
2-(4-methyl-2-pyridinyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819158

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852229) is 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(Oc3ccccc3)c2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IPYCTKYFYVZDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClNO5/c1-35-25-15-14-19(17-23(25)31)32-27(18-8-7-11-21(16-18)36-20-9-3-2-4-10-20)26-28(33)22-12-5-6-13-24(22)37-29(26)30(32)34/h2-17,27H,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 509.95 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).