6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol

C13H13BrO2 — CID 117451047

IUPAC6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
SMILESCC(CO)c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C13H13BrO2/c1-8(7-15)13-11-4-3-10(14)6-9(11)2-5-12(13)16/h2-6,8,15-16H,7H2,1H3
InChIKeyNPGRHAAELIZPQU-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.40
Rot. Bonds2

About 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol

6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol (PubChem CID 117451047) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
PubChem CID117451047
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
SMILESCC(CO)c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C13H13BrO2/c1-8(7-15)13-11-4-3-10(14)6-9(11)2-5-12(13)16/h2-6,8,15-16H,7H2,1H3
InChIKeyNPGRHAAELIZPQU-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
The IUPAC name of 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol (CID 117451047) is 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol is CC(CO)c1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
The InChIKey is NPGRHAAELIZPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-8(7-15)13-11-4-3-10(14)6-9(11)2-5-12(13)16/h2-6,8,15-16H,7H2,1H3.
What are the key properties of 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol has a molecular weight of 281.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 117451047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).