(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H29NO6 — CID 2022884

IUPAC(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)ccc1OCC(C)C
InChIInChI=1S/C27H29NO6/c1-16(2)15-33-21-11-10-17(13-22(21)31-3)24-23-25(29)19-8-4-5-9-20(19)34-26(23)27(30)28(24)14-18-7-6-12-32-18/h4-5,8-11,13,16,18,24H,6-7,12,14-15H2,1-3H3/t18-,24+/m1/s1
InChIKeyGVEHCBBDVVCEGC-KOSHJBKYSA-N
MW463.53 g/mol
LogP4.56
Rot. Bonds7

About (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2022884) has the molecular formula C27H29NO6 and a molecular weight of 463.53 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2022884
Molecular FormulaC27H29NO6
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)ccc1OCC(C)C
InChIInChI=1S/C27H29NO6/c1-16(2)15-33-21-11-10-17(13-22(21)31-3)24-23-25(29)19-8-4-5-9-20(19)34-26(23)27(30)28(24)14-18-7-6-12-32-18/h4-5,8-11,13,16,18,24H,6-7,12,14-15H2,1-3H3/t18-,24+/m1/s1
InChIKeyGVEHCBBDVVCEGC-KOSHJBKYSA-N
XLogP4.56
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528717
(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-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3756143
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
(1S)-1-(4-butoxy-3-ethoxyphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315360
(1S)-2-(3-hydroxypropyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40850914
(1R)-1-(3-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7559980
(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
(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030452
(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218876
(1S)-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314881
(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011902

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (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) is (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)ccc1OCC(C)C.
What is the InChIKey of (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GVEHCBBDVVCEGC-KOSHJBKYSA-N. The full InChI is InChI=1S/C27H29NO6/c1-16(2)15-33-21-11-10-17(13-22(21)31-3)24-23-25(29)19-8-4-5-9-20(19)34-26(23)27(30)28(24)14-18-7-6-12-32-18/h4-5,8-11,13,16,18,24H,6-7,12,14-15H2,1-3H3/t18-,24+/m1/s1.
What are the key properties of (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 463.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2022884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).