(1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one

C30H25NO2 — CID 134962071

IUPAC(1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@@]12c1ccccc1[C@H](O)C[C@@H]2c1ccccc1
InChIInChI=1S/C30H25NO2/c32-28-19-26(22-13-5-2-6-14-22)30(24-16-8-7-15-23(24)28)25-17-9-10-18-27(25)31(29(30)33)20-21-11-3-1-4-12-21/h1-18,26,28,32H,19-20H2/t26-,28-,30-/m1/s1
InChIKeyMYOWRWZRNIQUIC-YQKLYGQBSA-N
MW431.54 g/mol
LogP5.74
Rot. Bonds3

About (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one

(1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one (PubChem CID 134962071) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name(1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one
PubChem CID134962071
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name(1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@@]12c1ccccc1[C@H](O)C[C@@H]2c1ccccc1
InChIInChI=1S/C30H25NO2/c32-28-19-26(22-13-5-2-6-14-22)30(24-16-8-7-15-23(24)28)25-17-9-10-18-27(25)31(29(30)33)20-21-11-3-1-4-12-21/h1-18,26,28,32H,19-20H2/t26-,28-,30-/m1/s1
InChIKeyMYOWRWZRNIQUIC-YQKLYGQBSA-N
XLogP5.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Hydroxymethyl)-17-(4-iodo-2-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2857939
17-(4-Fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 6617743
17-(2-Fluorophenyl)-1-(hydroxyethyl)-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<1 5,19>]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3125586
(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one
CID 134958641
1-(Hydroxymethyl)-17-naphthalen-1-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2858933
17-(2-Ethylphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2859349
17-(2,5-Dimethylphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2859473
17-(2,4-Dimethylphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3114513
3,3-Bis(4-hydroxyphenyl)-1-(naphthylmethyl)indolin-2-one
CID 2836145
1-(1-Hydroxyethyl)-17-[2-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2873098
3,3-bis(4-hydroxy-3-methylphenyl)-1-(1-naphthylmethyl)-1,3-dihydro-2H-indol-2-one
CID 3101988
(19R)-17-(4-fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 131841718

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one?
The IUPAC name of (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one (CID 134962071) is (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one.
What is the SMILES notation for (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one?
The canonical SMILES for (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one is O=C1N(Cc2ccccc2)c2ccccc2[C@@]12c1ccccc1[C@H](O)C[C@@H]2c1ccccc1.
What is the InChIKey of (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one?
The InChIKey is MYOWRWZRNIQUIC-YQKLYGQBSA-N. The full InChI is InChI=1S/C30H25NO2/c32-28-19-26(22-13-5-2-6-14-22)30(24-16-8-7-15-23(24)28)25-17-9-10-18-27(25)31(29(30)33)20-21-11-3-1-4-12-21/h1-18,26,28,32H,19-20H2/t26-,28-,30-/m1/s1.
What are the key properties of (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one?
(1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one has a molecular weight of 431.54 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one is sourced from PubChem (CID 134962071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).