1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone

C12H9BrO2 — CID 12931639

IUPAC1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C12H9BrO2/c1-7(14)10-6-11(13)8-4-2-3-5-9(8)12(10)15/h2-6,15H,1H3
InChIKeyNMDZQQHBPKCHBA-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.51
Rot. Bonds1

About 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone

1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone (PubChem CID 12931639) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone
PubChem CID12931639
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C12H9BrO2/c1-7(14)10-6-11(13)8-4-2-3-5-9(8)12(10)15/h2-6,15H,1H3
InChIKeyNMDZQQHBPKCHBA-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone (CID 12931639) is 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone is CC(=O)c1cc(Br)c2ccccc2c1O.
What is the InChIKey of 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone?
The InChIKey is NMDZQQHBPKCHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-7(14)10-6-11(13)8-4-2-3-5-9(8)12(10)15/h2-6,15H,1H3.
What are the key properties of 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone?
1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone has a molecular weight of 265.11 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-hydroxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 12931639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).