7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one

C23H26ClNO4 — CID 18888556

IUPAC7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCOc2cc(C)ccc2C(C)C)c2c(Cl)cccc21
InChIInChI=1S/C23H26ClNO4/c1-14(2)17-9-8-15(3)12-20(17)29-11-10-25-21-18(6-5-7-19(21)24)23(28,22(25)27)13-16(4)26/h5-9,12,14,28H,10-11,13H2,1-4H3
InChIKeyANYJEIHQXMSNSD-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.36
Rot. Bonds7

About 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one

7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one (PubChem CID 18888556) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
PubChem CID18888556
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCOc2cc(C)ccc2C(C)C)c2c(Cl)cccc21
InChIInChI=1S/C23H26ClNO4/c1-14(2)17-9-8-15(3)12-20(17)29-11-10-25-21-18(6-5-7-19(21)24)23(28,22(25)27)13-16(4)26/h5-9,12,14,28H,10-11,13H2,1-4H3
InChIKeyANYJEIHQXMSNSD-UHFFFAOYSA-N
XLogP4.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888624
(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 7444599
7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
CID 18888515
6,7-dichloro-3-hydroxy-1-[3-(4-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888687
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 7444545
(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444611
5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177851
1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 50896062
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444630
3-hydroxy-7-methyl-1-nonyl-3-(2-oxopropyl)indol-2-one
CID 18888313
N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447214
1-[(2-ethoxyphenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 6499625

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one (CID 18888556) is 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one is CC(=O)CC1(O)C(=O)N(CCOc2cc(C)ccc2C(C)C)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
The InChIKey is ANYJEIHQXMSNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-14(2)17-9-8-15(3)12-20(17)29-11-10-25-21-18(6-5-7-19(21)24)23(28,22(25)27)13-16(4)26/h5-9,12,14,28H,10-11,13H2,1-4H3.
What are the key properties of 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one has a molecular weight of 415.92 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).