5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one

C21H18ClNO3 — CID 7178632

IUPAC5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCc3ccccc32)occ1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c22-17-7-5-15(6-8-17)13-26-21-14-25-18(11-20(21)24)12-23-10-9-16-3-1-2-4-19(16)23/h1-8,11,14H,9-10,12-13H2
InChIKeyIBZREIBSTDBMHQ-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.43
Rot. Bonds5

About 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one

5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one (PubChem CID 7178632) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one
PubChem CID7178632
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCc3ccccc32)occ1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c22-17-7-5-15(6-8-17)13-26-21-14-25-18(11-20(21)24)12-23-10-9-16-3-1-2-4-19(16)23/h1-8,11,14H,9-10,12-13H2
InChIKeyIBZREIBSTDBMHQ-UHFFFAOYSA-N
XLogP4.43
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one (CID 7178632) is 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one is O=c1cc(CN2CCc3ccccc32)occ1OCc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one?
The InChIKey is IBZREIBSTDBMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c22-17-7-5-15(6-8-17)13-26-21-14-25-18(11-20(21)24)12-23-10-9-16-3-1-2-4-19(16)23/h1-8,11,14H,9-10,12-13H2.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one?
5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one has a molecular weight of 367.83 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-(2,3-dihydroindol-1-ylmethyl)pyran-4-one is sourced from PubChem (CID 7178632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).