6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol

C21H14Br2O2 — CID 3052492

IUPAC6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C21H14Br2O2/c22-14-3-5-16-12(9-14)1-7-20(24)18(16)11-19-17-6-4-15(23)10-13(17)2-8-21(19)25/h1-10,24-25H,11H2
InChIKeyBOSDHXOAPYMNSA-UHFFFAOYSA-N
MW458.15 g/mol
LogP6.52
Rot. Bonds2

About 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol

6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol (PubChem CID 3052492) has the molecular formula C21H14Br2O2 and a molecular weight of 458.15 g/mol. Its IUPAC name is 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
PubChem CID3052492
Molecular FormulaC21H14Br2O2
Molecular Weight458.15 g/mol
Exact Mass455.94
IUPAC Name6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C21H14Br2O2/c22-14-3-5-16-12(9-14)1-7-20(24)18(16)11-19-17-6-4-15(23)10-13(17)2-8-21(19)25/h1-10,24-25H,11H2
InChIKeyBOSDHXOAPYMNSA-UHFFFAOYSA-N
XLogP6.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.15
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol (CID 3052492) is 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1Cc1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The InChIKey is BOSDHXOAPYMNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2O2/c22-14-3-5-16-12(9-14)1-7-20(24)18(16)11-19-17-6-4-15(23)10-13(17)2-8-21(19)25/h1-10,24-25H,11H2.
What are the key properties of 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol has a molecular weight of 458.15 g/mol, XLogP of 6.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 3052492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).