(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol

C22H18ClNO — CID 72707576

IUPAC(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C22H18ClNO/c23-18-12-7-13-19-21(18)17(14-24-19)20(15-8-3-1-4-9-15)22(25)16-10-5-2-6-11-16/h1-14,20,22,24-25H/t20-,22+/m1/s1
InChIKeyBWCNKORPYTXMKP-IRLDBZIGSA-N
MW347.85 g/mol
LogP5.69
Rot. Bonds4

About (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol

(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol (PubChem CID 72707576) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
PubChem CID72707576
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C22H18ClNO/c23-18-12-7-13-19-21(18)17(14-24-19)20(15-8-3-1-4-9-15)22(25)16-10-5-2-6-11-16/h1-14,20,22,24-25H/t20-,22+/m1/s1
InChIKeyBWCNKORPYTXMKP-IRLDBZIGSA-N
XLogP5.69
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol?
The IUPAC name of (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol (CID 72707576) is (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol.
What is the SMILES notation for (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol?
The canonical SMILES for (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@H](c1ccccc1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol?
The InChIKey is BWCNKORPYTXMKP-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H18ClNO/c23-18-12-7-13-19-21(18)17(14-24-19)20(15-8-3-1-4-9-15)22(25)16-10-5-2-6-11-16/h1-14,20,22,24-25H/t20-,22+/m1/s1.
What are the key properties of (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol?
(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol has a molecular weight of 347.85 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol is sourced from PubChem (CID 72707576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).