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

C13H16BrNO — CID 117120397

IUPAC2-(4-bromo-1-ethylindol-2-yl)propan-2-ol
SMILESCCn1c(C(C)(C)O)cc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO/c1-4-15-11-7-5-6-10(14)9(11)8-12(15)13(2,3)16/h5-8,16H,4H2,1-3H3
InChIKeyDPRMDSSKGPNVAW-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.65
Rot. Bonds2

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

2-(4-bromo-1-ethylindol-2-yl)propan-2-ol (PubChem CID 117120397) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-ethylindol-2-yl)propan-2-ol
PubChem CID117120397
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(4-bromo-1-ethylindol-2-yl)propan-2-ol
SMILESCCn1c(C(C)(C)O)cc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO/c1-4-15-11-7-5-6-10(14)9(11)8-12(15)13(2,3)16/h5-8,16H,4H2,1-3H3
InChIKeyDPRMDSSKGPNVAW-UHFFFAOYSA-N
XLogP3.65
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-(2-hydroxypropan-2-yl)indol-4-ol
CID 117120545
2-(1-ethyl-4-methoxyindol-2-yl)propan-2-ol
CID 117120548
1-bromo-9-ethylcarbazole
CID 19736997
4-bromo-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173791
2-(1-ethyl-6-methylindol-2-yl)propan-2-ol
CID 117122681
2-(4-bromo-2-methylindol-1-yl)acetaldehyde
CID 83843794
1-bromo-9-propylcarbazole
CID 141387102
1-(3-bromoindol-1-yl)-2-methylpropan-2-ol
CID 101209316
9-ethylcarbazole-3-carboxylic acid
CID 4912869
2,7-dibromo-1-ethyl-3-methylindole
CID 117127877
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol (CID 117120397) is 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol is CCn1c(C(C)(C)O)cc2c(Br)cccc21.
What is the InChIKey of 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol?
The InChIKey is DPRMDSSKGPNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-4-15-11-7-5-6-10(14)9(11)8-12(15)13(2,3)16/h5-8,16H,4H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethylindol-2-yl)propan-2-ol?
2-(4-bromo-1-ethylindol-2-yl)propan-2-ol has a molecular weight of 282.18 g/mol, XLogP of 3.65, 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-ethylindol-2-yl)propan-2-ol is sourced from PubChem (CID 117120397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).