1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol

C23H18F3NO — CID 155547914

IUPAC1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol
SMILESOC(C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H18F3NO/c24-23(25,26)22(28)19(15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)27-21(20)16-11-5-2-6-12-16/h1-14,19,22,27-28H
InChIKeyCHJXLIFTRDZNPS-UHFFFAOYSA-N
MW381.40 g/mol
LogP5.89
Rot. Bonds4

About 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol

1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol (PubChem CID 155547914) has the molecular formula C23H18F3NO and a molecular weight of 381.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol
PubChem CID155547914
Molecular FormulaC23H18F3NO
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC Name1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol
SMILESOC(C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H18F3NO/c24-23(25,26)22(28)19(15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)27-21(20)16-11-5-2-6-12-16/h1-14,19,22,27-28H
InChIKeyCHJXLIFTRDZNPS-UHFFFAOYSA-N
XLogP5.89
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
CID 82758235
(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol
CID 7150227
3-bromo-1-(2-phenyl-1H-indol-3-yl)propane-1,2-diol
CID 171861369
dibenzyl 2-[(4-bromophenyl)-(2-phenyl-1H-indol-3-yl)methyl]propanedioate
CID 141456190
[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea
CID 118908898
3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole
CID 162656098
3-fluoro-2-phenyl-1H-indole
CID 141242496
2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
CID 118908788
2-[(6-chloro-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
CID 155537572
N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 118908821
(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
CID 102355251
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol (CID 155547914) is 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol is OC(C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol?
The InChIKey is CHJXLIFTRDZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO/c24-23(25,26)22(28)19(15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)27-21(20)16-11-5-2-6-12-16/h1-14,19,22,27-28H.
What are the key properties of 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol?
1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol has a molecular weight of 381.40 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol is sourced from PubChem (CID 155547914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).