(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one

C23H21NO3 — CID 95095280

IUPAC(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
SMILESCOc1cccc(CN2C(=O)[C@@](O)(c3ccc(C)cc3)c3ccccc32)c1
InChIInChI=1S/C23H21NO3/c1-16-10-12-18(13-11-16)23(26)20-8-3-4-9-21(20)24(22(23)25)15-17-6-5-7-19(14-17)27-2/h3-14,26H,15H2,1-2H3/t23-/m1/s1
InChIKeyGYLLUKIZEKDVLT-HSZRJFAPSA-N
MW359.43 g/mol
LogP3.79
Rot. Bonds4

About (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one

(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one (PubChem CID 95095280) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
PubChem CID95095280
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
SMILESCOc1cccc(CN2C(=O)[C@@](O)(c3ccc(C)cc3)c3ccccc32)c1
InChIInChI=1S/C23H21NO3/c1-16-10-12-18(13-11-16)23(26)20-8-3-4-9-21(20)24(22(23)25)15-17-6-5-7-19(14-17)27-2/h3-14,26H,15H2,1-2H3/t23-/m1/s1
InChIKeyGYLLUKIZEKDVLT-HSZRJFAPSA-N
XLogP3.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095552
2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile
CID 95095278
N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide
CID 178048049
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186213
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016829
(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40794994
methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 53144125
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one (CID 95095280) is (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one is COc1cccc(CN2C(=O)[C@@](O)(c3ccc(C)cc3)c3ccccc32)c1.
What is the InChIKey of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one?
The InChIKey is GYLLUKIZEKDVLT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-10-12-18(13-11-16)23(26)20-8-3-4-9-21(20)24(22(23)25)15-17-6-5-7-19(14-17)27-2/h3-14,26H,15H2,1-2H3/t23-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one?
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one is sourced from PubChem (CID 95095280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).