(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one

C20H21NO4 — CID 51921804

IUPAC(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one
SMILESCOc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3cccc(C)c32)cc1
InChIInChI=1S/C20H21NO4/c1-13-5-4-6-17-18(13)21(19(23)20(17,24)11-14(2)22)12-15-7-9-16(25-3)10-8-15/h4-10,24H,11-12H2,1-3H3/t20-/m0/s1
InChIKeySCKSMAXJNLUXFU-FQEVSTJZSA-N
MW339.39 g/mol
LogP2.72
Rot. Bonds5

About (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one

(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one (PubChem CID 51921804) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one
PubChem CID51921804
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one
SMILESCOc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3cccc(C)c32)cc1
InChIInChI=1S/C20H21NO4/c1-13-5-4-6-17-18(13)21(19(23)20(17,24)11-14(2)22)12-15-7-9-16(25-3)10-8-15/h4-10,24H,11-12H2,1-3H3/t20-/m0/s1
InChIKeySCKSMAXJNLUXFU-FQEVSTJZSA-N
XLogP2.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 6499655
(3R)-1-butyl-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 41254776
3-hydroxy-7-methyl-1-nonyl-3-(2-oxopropyl)indol-2-one
CID 18888313
3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one
CID 18888423
(3S)-1-benzyl-3-hydroxy-4,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 41254809
1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888365
(3R)-3-hydroxy-7-methyl-3-(2-oxopropyl)-1-[(2-prop-2-enoxyphenyl)methyl]indol-2-one
CID 41254791
2-(1-benzyl-3,7-dimethyl-2-oxoindol-3-yl)acetic acid
CID 175312134
(3R)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444539
1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884322
1-[(4-butoxy-3-methoxyphenyl)methyl]-6,7-dichloro-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888667
1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
CID 102315003

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one?
The IUPAC name of (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one (CID 51921804) is (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one is COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3cccc(C)c32)cc1.
What is the InChIKey of (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one?
The InChIKey is SCKSMAXJNLUXFU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-5-4-6-17-18(13)21(19(23)20(17,24)11-14(2)22)12-15-7-9-16(25-3)10-8-15/h4-10,24H,11-12H2,1-3H3/t20-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one?
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 51921804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).