(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one

C17H14ClNO4 — CID 39315528

IUPAC(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C17H14ClNO4/c1-23-14-8-3-2-5-10(14)13(20)9-17(22)11-6-4-7-12(18)15(11)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyJUZFTYXREZAHCQ-QGZVFWFLSA-N
MW331.76 g/mol
LogP2.76
Rot. Bonds4

About (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one

(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 39315528) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID39315528
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C17H14ClNO4/c1-23-14-8-3-2-5-10(14)13(20)9-17(22)11-6-4-7-12(18)15(11)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyJUZFTYXREZAHCQ-QGZVFWFLSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604
(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 124886760
3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360612
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one
CID 796057
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1075376
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(3S)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244744
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112

Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (CID 39315528) is (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2c(Cl)cccc21.
What is the InChIKey of (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is JUZFTYXREZAHCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-23-14-8-3-2-5-10(14)13(20)9-17(22)11-6-4-7-12(18)15(11)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 331.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 39315528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).