5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one

C22H18ClNO3 — CID 142720889

IUPAC5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)Cc3cc(Oc4ccc(Cl)cc4)ccc32)cc1
InChIInChI=1S/C22H18ClNO3/c1-26-18-6-2-15(3-7-18)14-24-21-11-10-20(12-16(21)13-22(24)25)27-19-8-4-17(23)5-9-19/h2-12H,13-14H2,1H3
InChIKeyPHXPGCKCTHGZGA-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.23
Rot. Bonds5

About 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one

5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 142720889) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
PubChem CID142720889
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)Cc3cc(Oc4ccc(Cl)cc4)ccc32)cc1
InChIInChI=1S/C22H18ClNO3/c1-26-18-6-2-15(3-7-18)14-24-21-11-10-20(12-16(21)13-22(24)25)27-19-8-4-17(23)5-9-19/h2-12H,13-14H2,1H3
InChIKeyPHXPGCKCTHGZGA-UHFFFAOYSA-N
XLogP5.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one (CID 142720889) is 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one is COc1ccc(CN2C(=O)Cc3cc(Oc4ccc(Cl)cc4)ccc32)cc1.
What is the InChIKey of 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is PHXPGCKCTHGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-26-18-6-2-15(3-7-18)14-24-21-11-10-20(12-16(21)13-22(24)25)27-19-8-4-17(23)5-9-19/h2-12H,13-14H2,1H3.
What are the key properties of 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 379.84 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 142720889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).