(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one

C19H19NO3 — CID 24862080

IUPAC(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(O)C(=O)N(Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-3-12-19(22)16-6-4-5-7-17(16)20(18(19)21)13-14-8-10-15(23-2)11-9-14/h3-11,22H,1,12-13H2,2H3/t19-/m1/s1
InChIKeyOYKPTRCNNHJRBE-LJQANCHMSA-N
MW309.37 g/mol
LogP3.01
Rot. Bonds5

About (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one

(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one (PubChem CID 24862080) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
PubChem CID24862080
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(O)C(=O)N(Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-3-12-19(22)16-6-4-5-7-17(16)20(18(19)21)13-14-8-10-15(23-2)11-9-14/h3-11,22H,1,12-13H2,2H3/t19-/m1/s1
InChIKeyOYKPTRCNNHJRBE-LJQANCHMSA-N
XLogP3.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-chloro-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 97033010
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588490
(3R)-1-[(4-chlorophenyl)methyl]-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1311083
(3R)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588493
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one
CID 132512055
3-hydroxy-3-prop-2-enyl-1-prop-2-ynylindol-2-one
CID 162398841
(3R)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444539
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
(3R)-1-benzyl-3-hydroxy-5-methoxy-3-[(2R)-2-phenylbut-3-enyl]indol-2-one
CID 134952514
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1075376
(3S)-1-benzyl-3-hydroxy-6-methoxy-3-phenacylindol-2-one
CID 72697841

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one (CID 24862080) is (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one is C=CC[C@]1(O)C(=O)N(Cc2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one?
The InChIKey is OYKPTRCNNHJRBE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-12-19(22)16-6-4-5-7-17(16)20(18(19)21)13-14-8-10-15(23-2)11-9-14/h3-11,22H,1,12-13H2,2H3/t19-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one?
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one is sourced from PubChem (CID 24862080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).