3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione

C19H14N2O4 — CID 54708548

IUPAC3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3cc(OCc4ccccc4)ccc23)=C1O
InChIInChI=1S/C19H14N2O4/c22-17-16(18(23)21-19(17)24)14-9-20-15-8-12(6-7-13(14)15)25-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,21,22,23,24)
InChIKeyQDUHBNXQCLGCPM-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.67
Rot. Bonds4

About 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione

3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 54708548) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID54708548
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3cc(OCc4ccccc4)ccc23)=C1O
InChIInChI=1S/C19H14N2O4/c22-17-16(18(23)21-19(17)24)14-9-20-15-8-12(6-7-13(14)15)25-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,21,22,23,24)
InChIKeyQDUHBNXQCLGCPM-UHFFFAOYSA-N
XLogP2.67
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308770
3-(1H-indol-3-yl)-4-[6-phenylmethoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 22409575
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 18947115
3-[5-[3-(dimethylamino)-2-hydroxy-3-phenylmethoxypropyl]-1H-indol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 67768522
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409711
3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409597
3-bromo-1-[(2,4-dimethoxyphenyl)methyl]-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 155256525
3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 70340325
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409335

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione (CID 54708548) is 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c[nH]c3cc(OCc4ccccc4)ccc23)=C1O.
What is the InChIKey of 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is QDUHBNXQCLGCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-17-16(18(23)21-19(17)24)14-9-20-15-8-12(6-7-13(14)15)25-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,21,22,23,24).
What are the key properties of 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 334.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 54708548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).