(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one

C25H21ClN2O3 — CID 29164492

IUPAC(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H21ClN2O3/c1-16-23(19-6-2-4-8-21(19)27-16)25(30)20-7-3-5-9-22(20)28(24(25)29)14-15-31-18-12-10-17(26)11-13-18/h2-13,27,30H,14-15H2,1H3/t25-/m1/s1
InChIKeyUQHQXQSAQUKYEY-RUZDIDTESA-N
MW432.91 g/mol
LogP4.79
Rot. Bonds5

About (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one

(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (PubChem CID 29164492) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
PubChem CID29164492
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H21ClN2O3/c1-16-23(19-6-2-4-8-21(19)27-16)25(30)20-7-3-5-9-22(20)28(24(25)29)14-15-31-18-12-10-17(26)11-13-18/h2-13,27,30H,14-15H2,1H3/t25-/m1/s1
InChIKeyUQHQXQSAQUKYEY-RUZDIDTESA-N
XLogP4.79
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The IUPAC name of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (CID 29164492) is (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.
What is the SMILES notation for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The canonical SMILES for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The InChIKey is UQHQXQSAQUKYEY-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-16-23(19-6-2-4-8-21(19)27-16)25(30)20-7-3-5-9-22(20)28(24(25)29)14-15-31-18-12-10-17(26)11-13-18/h2-13,27,30H,14-15H2,1H3/t25-/m1/s1.
What are the key properties of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one has a molecular weight of 432.91 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is sourced from PubChem (CID 29164492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).