1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol

C13H13BrO2 — CID 65278074

IUPAC1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
SMILESCC(COC1=CC2=C(C=C1)C=C(C=C2)Br)O
InChIInChI=1S/C13H13BrO2/c1-9(15)8-16-13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15H,8H2,1H3
InChIKeyPSWPIEYMKCKVRQ-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.60
Rot. Bonds3

About 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol

1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol (PubChem CID 65278074) has the molecular formula C13H13BrO2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol
PubChem CID65278074
Molecular FormulaC13H13BrO2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
SMILESCC(COC1=CC2=C(C=C1)C=C(C=C2)Br)O
InChIInChI=1S/C13H13BrO2/c1-9(15)8-16-13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15H,8H2,1H3
InChIKeyPSWPIEYMKCKVRQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity222

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol?
The IUPAC name of 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol (CID 65278074) is 1-(6-bromonaphthalen-2-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol?
The canonical SMILES for 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol is CC(COC1=CC2=C(C=C1)C=C(C=C2)Br)O.
What is the InChIKey of 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol?
The InChIKey is PSWPIEYMKCKVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-9(15)8-16-13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol?
1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol has a molecular weight of 281.14 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-Bromonaphthalen-2-yl)oxypropan-2-ol is sourced from PubChem (CID 65278074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).