7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H30ClNO5 — CID 18882590

IUPAC7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1OCC(C)C
InChIInChI=1S/C31H30ClNO5/c1-17(2)16-37-24-11-10-21(13-26(24)36-5)28-27-29(34)22-14-23(32)19(4)12-25(22)38-30(27)31(35)33(28)15-20-8-6-18(3)7-9-20/h6-14,17,28H,15-16H2,1-5H3
InChIKeyPDRCHHRCQSAHAJ-UHFFFAOYSA-N
MW532.04 g/mol
LogP6.85
Rot. Bonds7

About 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882590) has the molecular formula C31H30ClNO5 and a molecular weight of 532.04 g/mol. Its IUPAC name is 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882590
Molecular FormulaC31H30ClNO5
Molecular Weight532.04 g/mol
Exact Mass531.18
IUPAC Name7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1OCC(C)C
InChIInChI=1S/C31H30ClNO5/c1-17(2)16-37-24-11-10-21(13-26(24)36-5)28-27-29(34)22-14-23(32)19(4)12-25(22)38-30(27)31(35)33(28)15-20-8-6-18(3)7-9-20/h6-14,17,28H,15-16H2,1-5H3
InChIKeyPDRCHHRCQSAHAJ-UHFFFAOYSA-N
XLogP6.85
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.04
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882587
7-chloro-1-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882550
7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882494
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-(1,3-benzodioxol-5-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18811036
7-fluoro-2-[(4-fluorophenyl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810457
7-chloro-2-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882611
7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810323
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259
2-butyl-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882306
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882841
7-chloro-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882688

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882590) is 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1OCC(C)C.
What is the InChIKey of 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PDRCHHRCQSAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClNO5/c1-17(2)16-37-24-11-10-21(13-26(24)36-5)28-27-29(34)22-14-23(32)19(4)12-25(22)38-30(27)31(35)33(28)15-20-8-6-18(3)7-9-20/h6-14,17,28H,15-16H2,1-5H3.
What are the key properties of 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 532.04 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).