6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol

C18H16BrNO — CID 81436882

IUPAC6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2ccc3[nH]ccc3c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H16BrNO/c19-16-3-1-14-11-18(21,7-5-12(14)10-16)15-2-4-17-13(9-15)6-8-20-17/h1-4,6,8-10,20-21H,5,7,11H2
InChIKeyMVXCZHQKFFXSAO-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.31
Rot. Bonds1

About 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 81436882) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID81436882
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(c2ccc3[nH]ccc3c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H16BrNO/c19-16-3-1-14-11-18(21,7-5-12(14)10-16)15-2-4-17-13(9-15)6-8-20-17/h1-4,6,8-10,20-21H,5,7,11H2
InChIKeyMVXCZHQKFFXSAO-UHFFFAOYSA-N
XLogP4.31
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol (CID 81436882) is 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol is OC1(c2ccc3[nH]ccc3c2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is MVXCZHQKFFXSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-16-3-1-14-11-18(21,7-5-12(14)10-16)15-2-4-17-13(9-15)6-8-20-17/h1-4,6,8-10,20-21H,5,7,11H2.
What are the key properties of 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 342.24 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 81436882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).