2-(4-bromo-1-phenylindol-2-yl)propan-2-ol

C17H16BrNO — CID 90177081

IUPAC2-(4-bromo-1-phenylindol-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(Br)cccc2n1-c1ccccc1
InChIInChI=1S/C17H16BrNO/c1-17(2,20)16-11-13-14(18)9-6-10-15(13)19(16)12-7-4-3-5-8-12/h3-11,20H,1-2H3
InChIKeyIZEGKYRBWMCKAJ-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.62
Rot. Bonds2

About 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol

2-(4-bromo-1-phenylindol-2-yl)propan-2-ol (PubChem CID 90177081) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-phenylindol-2-yl)propan-2-ol
PubChem CID90177081
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-(4-bromo-1-phenylindol-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(Br)cccc2n1-c1ccccc1
InChIInChI=1S/C17H16BrNO/c1-17(2,20)16-11-13-14(18)9-6-10-15(13)19(16)12-7-4-3-5-8-12/h3-11,20H,1-2H3
InChIKeyIZEGKYRBWMCKAJ-UHFFFAOYSA-N
XLogP4.62
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-1-ethylindol-2-yl)propan-2-ol
CID 117120397
3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 164756576
17-bromo-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 134338046
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
CID 163799671
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
5-bromo-11-phenylbenzo[a]carbazole
CID 58410432
phenyl-bis(9-phenylcarbazol-3-yl)methanol
CID 15404297
1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121302697
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol (CID 90177081) is 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol is CC(C)(O)c1cc2c(Br)cccc2n1-c1ccccc1.
What is the InChIKey of 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol?
The InChIKey is IZEGKYRBWMCKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-17(2,20)16-11-13-14(18)9-6-10-15(13)19(16)12-7-4-3-5-8-12/h3-11,20H,1-2H3.
What are the key properties of 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol?
2-(4-bromo-1-phenylindol-2-yl)propan-2-ol has a molecular weight of 330.23 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-phenylindol-2-yl)propan-2-ol is sourced from PubChem (CID 90177081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).