1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C19H15NO5 — CID 19130381

IUPAC1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2NC(=O)c3oc4ccccc4c(=O)c32)ccc1O
InChIInChI=1S/C19H15NO5/c1-2-24-14-9-10(7-8-12(14)21)16-15-17(22)11-5-3-4-6-13(11)25-18(15)19(23)20-16/h3-9,16,21H,2H2,1H3,(H,20,23)
InChIKeyBYQIZLCOVXUYDB-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130381) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130381
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2NC(=O)c3oc4ccccc4c(=O)c32)ccc1O
InChIInChI=1S/C19H15NO5/c1-2-24-14-9-10(7-8-12(14)21)16-15-17(22)11-5-3-4-6-13(11)25-18(15)19(23)20-16/h3-9,16,21H,2H2,1H3,(H,20,23)
InChIKeyBYQIZLCOVXUYDB-UHFFFAOYSA-N
XLogP2.73
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
1-(3-methoxy-4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130376
1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130385
1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706025
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130607
2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852267
1-(3-ethoxy-4-hydroxyphenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852271
6-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]hexanoic acid
CID 40849910
1-(3-ethoxy-4-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819968
7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130508
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-ethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130661
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130381) is 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2NC(=O)c3oc4ccccc4c(=O)c32)ccc1O.
What is the InChIKey of 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BYQIZLCOVXUYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-2-24-14-9-10(7-8-12(14)21)16-15-17(22)11-5-3-4-6-13(11)25-18(15)19(23)20-16/h3-9,16,21H,2H2,1H3,(H,20,23).
What are the key properties of 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 337.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).