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

C13H13BrO2 — CID 18367588

IUPAC2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
SMILESCC(CO)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H13BrO2/c1-9(8-15)16-13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15H,8H2,1H3
InChIKeyZYGBXQQFLBZVRX-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.36
Rot. Bonds3

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

2-(6-bromonaphthalen-2-yl)oxypropan-1-ol (PubChem CID 18367588) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
PubChem CID18367588
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
SMILESCC(CO)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H13BrO2/c1-9(8-15)16-13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15H,8H2,1H3
InChIKeyZYGBXQQFLBZVRX-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(6-bromonaphthalen-2-yl)oxybutan-2-one
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2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
CID 63506414
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid
CID 122035568
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
7-butan-2-yloxynaphthalen-2-ol
CID 43143670

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol (CID 18367588) is 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol is CC(CO)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol?
The InChIKey is ZYGBXQQFLBZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-9(8-15)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 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol?
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol has a molecular weight of 281.15 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxypropan-1-ol is sourced from PubChem (CID 18367588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).