[1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol

C23H17BrF3NO — CID 140928465

IUPAC[1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
SMILESOCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C23H17BrF3NO/c24-18-8-4-5-15(11-18)13-28-20-10-9-17(23(25,26)27)12-19(20)22(21(28)14-29)16-6-2-1-3-7-16/h1-12,29H,13-14H2
InChIKeyVHLRDQZSXNBISF-UHFFFAOYSA-N
MW460.29 g/mol
LogP6.63
Rot. Bonds4

About [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol

[1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol (PubChem CID 140928465) has the molecular formula C23H17BrF3NO and a molecular weight of 460.29 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
PubChem CID140928465
Molecular FormulaC23H17BrF3NO
Molecular Weight460.29 g/mol
Exact Mass459.04
IUPAC Name[1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
SMILESOCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C23H17BrF3NO/c24-18-8-4-5-15(11-18)13-28-20-10-9-17(23(25,26)27)12-19(20)22(21(28)14-29)16-6-2-1-3-7-16/h1-12,29H,13-14H2
InChIKeyVHLRDQZSXNBISF-UHFFFAOYSA-N
XLogP6.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.29
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-Bromophenyl)methyl]indol-3-yl]methanol
CID 15881522
[1-Ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
CID 166628020
[1-Methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
CID 166630233
(9-ethyl-9H-carbazol-3-yl)methanol
CID 6490732
(1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol
CID 164671372
1-(9-Ethylcarbazol-3-yl)-2,2-difluorobut-3-en-1-ol
CID 177852323
6,9-Dimethyl-1,2,3,4-tetrahydrocarbazol-1-ol
CID 2831740
9-Heptyl-9h-carbazol-3-yl methanol
CID 68477536
1-(1-Benzyl-5-bromoindol-2-yl)-2-ethyl-4-phenylbut-3-yn-1-ol
CID 71519441
1-(1-Ethyl-5-methylindol-2-yl)-2-phenyloct-3-yn-1-ol
CID 135071668
2-Ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol
CID 135073190
[9-[3-(Benzylamino)propyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methanol
CID 60171468

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
The IUPAC name of [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol (CID 140928465) is [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
The canonical SMILES for [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol is OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Br)c1.
What is the InChIKey of [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
The InChIKey is VHLRDQZSXNBISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrF3NO/c24-18-8-4-5-15(11-18)13-28-20-10-9-17(23(25,26)27)12-19(20)22(21(28)14-29)16-6-2-1-3-7-16/h1-12,29H,13-14H2.
What are the key properties of [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
[1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol has a molecular weight of 460.29 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol is sourced from PubChem (CID 140928465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).