(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one

C18H17NO4 — CID 1425949

IUPAC(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)cc1)C(=O)N2
InChIInChI=1S/C18H17NO4/c1-11-3-5-12(6-4-11)16(20)10-18(22)14-9-13(23-2)7-8-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)/t18-/m1/s1
InChIKeyBEHWHZXZNBJWAI-GOSISDBHSA-N
MW311.34 g/mol
LogP2.42
Rot. Bonds4

About (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one

(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 1425949) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID1425949
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)cc1)C(=O)N2
InChIInChI=1S/C18H17NO4/c1-11-3-5-12(6-4-11)16(20)10-18(22)14-9-13(23-2)7-8-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)/t18-/m1/s1
InChIKeyBEHWHZXZNBJWAI-GOSISDBHSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one (CID 1425949) is (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one is COc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)cc1)C(=O)N2.
What is the InChIKey of (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is BEHWHZXZNBJWAI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO4/c1-11-3-5-12(6-4-11)16(20)10-18(22)14-9-13(23-2)7-8-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)/t18-/m1/s1.
What are the key properties of (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 1425949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).