(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol

C24H23NO — CID 164684988

IUPAC(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](c2c[nH]c3ccccc23)[C@@H](O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO/c1-16-7-11-18(12-8-16)23(24(26)19-13-9-17(2)10-14-19)21-15-25-22-6-4-3-5-20(21)22/h3-15,23-26H,1-2H3/t23-,24+/m1/s1
InChIKeyCVDYZAQYXIKTCT-RPWUZVMVSA-N
MW341.45 g/mol
LogP5.65
Rot. Bonds4

About (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol

(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol (PubChem CID 164684988) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
PubChem CID164684988
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](c2c[nH]c3ccccc23)[C@@H](O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO/c1-16-7-11-18(12-8-16)23(24(26)19-13-9-17(2)10-14-19)21-15-25-22-6-4-3-5-20(21)22/h3-15,23-26H,1-2H3/t23-,24+/m1/s1
InChIKeyCVDYZAQYXIKTCT-RPWUZVMVSA-N
XLogP5.65
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119
(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
CID 73349379
3-[(4-bromophenyl)-(4-methylphenyl)sulfanylmethyl]-1H-indole
CID 102234751
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3-propan-2-yl-1H-indole
CID 12534824
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
1H-indol-3-yl-(2-methyl-4-pyridinyl)methanol
CID 112742788
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
diethyl 2-[1H-indol-3-yl-(4-methoxyphenyl)methyl]propanedioate
CID 102108904

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol?
The IUPAC name of (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol (CID 164684988) is (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol.
What is the SMILES notation for (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol?
The canonical SMILES for (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol is Cc1ccc([C@H](c2c[nH]c3ccccc23)[C@@H](O)c2ccc(C)cc2)cc1.
What is the InChIKey of (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol?
The InChIKey is CVDYZAQYXIKTCT-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H23NO/c1-16-7-11-18(12-8-16)23(24(26)19-13-9-17(2)10-14-19)21-15-25-22-6-4-3-5-20(21)22/h3-15,23-26H,1-2H3/t23-,24+/m1/s1.
What are the key properties of (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol?
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol has a molecular weight of 341.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol is sourced from PubChem (CID 164684988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).