1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

C17H20BrNO — CID 81288210

IUPAC1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCc1cc(Br)ccc1-n1c(C)cc2c1CCCC2O
InChIInChI=1S/C17H20BrNO/c1-3-12-10-13(18)7-8-15(12)19-11(2)9-14-16(19)5-4-6-17(14)20/h7-10,17,20H,3-6H2,1-2H3
InChIKeyGXVVJZPSWKFGRB-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.48
Rot. Bonds2

About 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 81288210) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
PubChem CID81288210
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCc1cc(Br)ccc1-n1c(C)cc2c1CCCC2O
InChIInChI=1S/C17H20BrNO/c1-3-12-10-13(18)7-8-15(12)19-11(2)9-14-16(19)5-4-6-17(14)20/h7-10,17,20H,3-6H2,1-2H3
InChIKeyGXVVJZPSWKFGRB-UHFFFAOYSA-N
XLogP4.48
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (CID 81288210) is 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is CCc1cc(Br)ccc1-n1c(C)cc2c1CCCC2O.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is GXVVJZPSWKFGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-12-10-13(18)7-8-15(12)19-11(2)9-14-16(19)5-4-6-17(14)20/h7-10,17,20H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 334.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 81288210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).