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

C25H23NO4 — CID 1320074

IUPAC(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCOc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H23NO4/c1-30-20-11-7-10-19(16-20)23(27)17-25(29)21-12-5-6-13-22(21)26(24(25)28)15-14-18-8-3-2-4-9-18/h2-13,16,29H,14-15,17H2,1H3/t25-/m1/s1
InChIKeyBZASSHPHPNIAIB-RUZDIDTESA-N
MW401.46 g/mol
LogP3.75
Rot. Bonds7

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

(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (PubChem CID 1320074) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
PubChem CID1320074
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCOc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H23NO4/c1-30-20-11-7-10-19(16-20)23(27)17-25(29)21-12-5-6-13-22(21)26(24(25)28)15-14-18-8-3-2-4-9-18/h2-13,16,29H,14-15,17H2,1H3/t25-/m1/s1
InChIKeyBZASSHPHPNIAIB-RUZDIDTESA-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-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909744
3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-methylprop-2-enyl)indol-2-one
CID 17078138
(3R)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1316626
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2915280
(3S)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 7680395
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
(3R)-5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1257557
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 3399275
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (CID 1320074) is (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is COc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)c1.
What is the InChIKey of (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The InChIKey is BZASSHPHPNIAIB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23NO4/c1-30-20-11-7-10-19(16-20)23(27)17-25(29)21-12-5-6-13-22(21)26(24(25)28)15-14-18-8-3-2-4-9-18/h2-13,16,29H,14-15,17H2,1H3/t25-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
(3R)-3-hydroxy-3-[2-(3-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 (3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 1320074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).