(1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol

C87H74Cl3F2N5O7 — CID 173124971

IUPAC(1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2[nH]cc([C@H]3C[C@@H](O)c4cc(Cl)ccc43)c2c1.COc1ccc2c([C@H]3C[C@@H](O)c4ccccc43)c[nH]c2c1.O[C@@H]1C[C@H](c2c[nH]c3cc(F)ccc23)c2ccccc21.O[C@@H]1C[C@H](c2c[nH]c3ccc(Cl)cc23)c2ccccc21.O[C@@H]1C[C@H](c2c[nH]c3cccc(Cl)c23)c2ccc(F)cc21
InChIInChI=1S/C18H16ClNO2.C18H17NO2.C17H13ClFNO.C17H14ClNO.C17H14FNO/c1-22-11-3-5-17-14(7-11)16(9-20-17)13-8-18(21)15-6-10(19)2-4-12(13)15;1-21-11-6-7-13-16(10-19-17(13)8-11)15-9-18(20)14-5-3-2-4-12(14)15;18-14-2-1-3-15-17(14)13(8-20-15)11-7-16(21)12-6-9(19)4-5-10(11)12;18-10-5-6-16-14(7-10)15(9-19-16)13-8-17(20)12-4-2-1-3-11(12)13;18-10-5-6-12-15(9-19-16(12)7-10)14-8-17(20)13-4-2-1-3-11(13)14/h2-7,9,13,18,20-21H,8H2,1H3;2-8,10,15,18-20H,9H2,1H3;1-6,8,11,16,20-21H,7H2;1-7,9,13,17,19-20H,8H2;1-7,9,14,17,19-20H,8H2/t13-,18+;15-,18+;11-,16+;13-,17+;14-,17+/m00000/s1
InChIKeyHXMVPYDEKBUJJF-IVZDSLQESA-N
MW1445.93 g/mol
LogP20.94
Rot. Bonds7

About (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol

(1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 173124971) has the molecular formula C87H74Cl3F2N5O7 and a molecular weight of 1445.93 g/mol. Its IUPAC name is (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
PubChem CID173124971
Molecular FormulaC87H74Cl3F2N5O7
Molecular Weight1445.93 g/mol
Exact Mass1443.46
IUPAC Name(1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2[nH]cc([C@H]3C[C@@H](O)c4cc(Cl)ccc43)c2c1.COc1ccc2c([C@H]3C[C@@H](O)c4ccccc43)c[nH]c2c1.O[C@@H]1C[C@H](c2c[nH]c3cc(F)ccc23)c2ccccc21.O[C@@H]1C[C@H](c2c[nH]c3ccc(Cl)cc23)c2ccccc21.O[C@@H]1C[C@H](c2c[nH]c3cccc(Cl)c23)c2ccc(F)cc21
InChIInChI=1S/C18H16ClNO2.C18H17NO2.C17H13ClFNO.C17H14ClNO.C17H14FNO/c1-22-11-3-5-17-14(7-11)16(9-20-17)13-8-18(21)15-6-10(19)2-4-12(13)15;1-21-11-6-7-13-16(10-19-17(13)8-11)15-9-18(20)14-5-3-2-4-12(14)15;18-14-2-1-3-15-17(14)13(8-20-15)11-7-16(21)12-6-9(19)4-5-10(11)12;18-10-5-6-16-14(7-10)15(9-19-16)13-8-17(20)12-4-2-1-3-11(12)13;18-10-5-6-12-15(9-19-16(12)7-10)14-8-17(20)13-4-2-1-3-11(13)14/h2-7,9,13,18,20-21H,8H2,1H3;2-8,10,15,18-20H,9H2,1H3;1-6,8,11,16,20-21H,7H2;1-7,9,13,17,19-20H,8H2;1-7,9,14,17,19-20H,8H2/t13-,18+;15-,18+;11-,16+;13-,17+;14-,17+/m00000/s1
InChIKeyHXMVPYDEKBUJJF-IVZDSLQESA-N
XLogP20.94
TPSA198.56 Ų
H-Bond Donors10
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.93
LogP ≤ 520.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 107

Analyze (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol (CID 173124971) is (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol is COc1ccc2[nH]cc([C@H]3C[C@@H](O)c4cc(Cl)ccc43)c2c1.COc1ccc2c([C@H]3C[C@@H](O)c4ccccc43)c[nH]c2c1.O[C@@H]1C[C@H](c2c[nH]c3cc(F)ccc23)c2ccccc21.O[C@@H]1C[C@H](c2c[nH]c3ccc(Cl)cc23)c2ccccc21.O[C@@H]1C[C@H](c2c[nH]c3cccc(Cl)c23)c2ccc(F)cc21.
What is the InChIKey of (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is HXMVPYDEKBUJJF-IVZDSLQESA-N. The full InChI is InChI=1S/C18H16ClNO2.C18H17NO2.C17H13ClFNO.C17H14ClNO.C17H14FNO/c1-22-11-3-5-17-14(7-11)16(9-20-17)13-8-18(21)15-6-10(19)2-4-12(13)15;1-21-11-6-7-13-16(10-19-17(13)8-11)15-9-18(20)14-5-3-2-4-12(14)15;18-14-2-1-3-15-17(14)13(8-20-15)11-7-16(21)12-6-9(19)4-5-10(11)12;18-10-5-6-16-14(7-10)15(9-19-16)13-8-17(20)12-4-2-1-3-11(12)13;18-10-5-6-12-15(9-19-16(12)7-10)14-8-17(20)13-4-2-1-3-11(13)14/h2-7,9,13,18,20-21H,8H2,1H3;2-8,10,15,18-20H,9H2,1H3;1-6,8,11,16,20-21H,7H2;1-7,9,13,17,19-20H,8H2;1-7,9,14,17,19-20H,8H2/t13-,18+;15-,18+;11-,16+;13-,17+;14-,17+/m00000/s1.
What are the key properties of (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
(1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 1445.93 g/mol, XLogP of 20.94, 7 rotatable bonds, 10 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(4-chloro-1H-indol-3-yl)-6-fluoro-2,3-dihydro-1H-inden-1-ol;(1R,3S)-6-chloro-3-(5-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol;(1R,3S)-3-(6-methoxy-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 173124971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).