1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H27NO5 — CID 19108837

IUPAC1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)C3c1cccc(O)c1
InChIInChI=1S/C25H27NO5/c1-14(2)30-10-6-9-26-22(17-7-5-8-18(27)13-17)21-23(28)20-16(4)11-15(3)12-19(20)31-24(21)25(26)29/h5,7-8,11-14,22,27H,6,9-10H2,1-4H3
InChIKeyBYXONIDLQWZYEI-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.48
Rot. Bonds6

About 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19108837) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19108837
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)C3c1cccc(O)c1
InChIInChI=1S/C25H27NO5/c1-14(2)30-10-6-9-26-22(17-7-5-8-18(27)13-17)21-23(28)20-16(4)11-15(3)12-19(20)31-24(21)25(26)29/h5,7-8,11-14,22,27H,6,9-10H2,1-4H3
InChIKeyBYXONIDLQWZYEI-UHFFFAOYSA-N
XLogP4.48
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108908
1-(3-butoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108890
(1R)-6,8-dimethyl-1-(4-methylsulfanylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316827
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108780
7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820383
1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108997
2-butyl-6,8-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108932
2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108817
2-(2-methoxyethyl)-6,8-dimethyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108947
1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 50754141
(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865687
1-(4-tert-butylphenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890746

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19108837) is 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)C3c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BYXONIDLQWZYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-14(2)30-10-6-9-26-22(17-7-5-8-18(27)13-17)21-23(28)20-16(4)11-15(3)12-19(20)31-24(21)25(26)29/h5,7-8,11-14,22,27H,6,9-10H2,1-4H3.
What are the key properties of 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 421.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19108837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).