(1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H26ClNO6 — CID 2218898

IUPAC(1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)ccc1OCc1ccccc1
InChIInChI=1S/C30H26ClNO6/c1-35-25-14-19(9-11-24(25)37-17-18-6-3-2-4-7-18)27-26-28(33)22-15-20(31)10-12-23(22)38-29(26)30(34)32(27)16-21-8-5-13-36-21/h2-4,6-7,9-12,14-15,21,27H,5,8,13,16-17H2,1H3/t21-,27-/m1/s1
InChIKeyDYAYFKXWACXGKX-JIPXPUAJSA-N
MW531.99 g/mol
LogP5.76
Rot. Bonds7

About (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2218898) has the molecular formula C30H26ClNO6 and a molecular weight of 531.99 g/mol. Its IUPAC name is (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2218898
Molecular FormulaC30H26ClNO6
Molecular Weight531.99 g/mol
Exact Mass531.14
IUPAC Name(1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)ccc1OCc1ccccc1
InChIInChI=1S/C30H26ClNO6/c1-35-25-14-19(9-11-24(25)37-17-18-6-3-2-4-7-18)27-26-28(33)22-15-20(31)10-12-23(22)38-29(26)30(34)32(27)16-21-8-5-13-36-21/h2-4,6-7,9-12,14-15,21,27H,5,8,13,16-17H2,1H3/t21-,27-/m1/s1
InChIKeyDYAYFKXWACXGKX-JIPXPUAJSA-N
XLogP5.76
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.99
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3756143
(1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023187
(1S)-1-(3,4-dimethoxyphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528717
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000240
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000242
(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2022884
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820432
(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023225
7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853435
2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809613
1-(3-butoxyphenyl)-7-chloro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820184
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820433

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2218898) is (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)ccc1OCc1ccccc1.
What is the InChIKey of (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DYAYFKXWACXGKX-JIPXPUAJSA-N. The full InChI is InChI=1S/C30H26ClNO6/c1-35-25-14-19(9-11-24(25)37-17-18-6-3-2-4-7-18)27-26-28(33)22-15-20(31)10-12-23(22)38-29(26)30(34)32(27)16-21-8-5-13-36-21/h2-4,6-7,9-12,14-15,21,27H,5,8,13,16-17H2,1H3/t21-,27-/m1/s1.
What are the key properties of (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 531.99 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2218898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).