3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

C25H23NO4 — CID 2910365

IUPAC3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23NO4/c1-30-20-13-11-19(12-14-20)23(27)17-25(29)21-9-5-6-10-22(21)26(24(25)28)16-15-18-7-3-2-4-8-18/h2-14,29H,15-17H2,1H3
InChIKeyJWCBHZDITMOIQN-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.75
Rot. Bonds7

About 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (PubChem CID 2910365) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
PubChem CID2910365
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23NO4/c1-30-20-13-11-19(12-14-20)23(27)17-25(29)21-9-5-6-10-22(21)26(24(25)28)16-15-18-7-3-2-4-8-18/h2-14,29H,15-17H2,1H3
InChIKeyJWCBHZDITMOIQN-UHFFFAOYSA-N
XLogP3.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2915280
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1320074
(3R)-5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1257557
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909744
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2908247
(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 1162536
3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 163207336
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244773
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (CID 2910365) is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is COc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The InChIKey is JWCBHZDITMOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-30-20-13-11-19(12-14-20)23(27)17-25(29)21-9-5-6-10-22(21)26(24(25)28)16-15-18-7-3-2-4-8-18/h2-14,29H,15-17H2,1H3.
What are the key properties of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one has a molecular weight of 401.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 2910365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).