2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H23NO5 — CID 18820073

IUPAC2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C3=O
InChIInChI=1S/C30H23NO5/c1-19-12-13-25-24(15-19)28(32)26-27(31(30(33)29(26)36-25)17-23-11-6-14-34-23)21-9-5-10-22(16-21)35-18-20-7-3-2-4-8-20/h2-16,27H,17-18H2,1H3
InChIKeyQCWMVVHGLHEKFY-UHFFFAOYSA-N
MW477.52 g/mol
LogP6.02
Rot. Bonds6

About 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820073) has the molecular formula C30H23NO5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18820073
Molecular FormulaC30H23NO5
Molecular Weight477.52 g/mol
Exact Mass477.16
IUPAC Name2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C3=O
InChIInChI=1S/C30H23NO5/c1-19-12-13-25-24(15-19)28(32)26-27(31(30(33)29(26)36-25)17-23-11-6-14-34-23)21-9-5-10-22(16-21)35-18-20-7-3-2-4-8-20/h2-16,27H,17-18H2,1H3
InChIKeyQCWMVVHGLHEKFY-UHFFFAOYSA-N
XLogP6.02
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000932
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882479
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820076
7-methyl-2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858005
(1S)-2-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015249
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7523292
(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010034
2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880970
1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4223731
(1R)-1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030987
2-benzyl-7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882527
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2013912

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820073) is 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C3=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QCWMVVHGLHEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO5/c1-19-12-13-25-24(15-19)28(32)26-27(31(30(33)29(26)36-25)17-23-11-6-14-34-23)21-9-5-10-22(16-21)35-18-20-7-3-2-4-8-20/h2-16,27H,17-18H2,1H3.
What are the key properties of 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 477.52 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).