2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol

C13H13BrO2 — CID 116863268

IUPAC2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1ccc2cc(C(O)CBr)ccc2c1
InChIInChI=1S/C13H13BrO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7,13,15H,8H2,1H3
InChIKeyCVNZOXOWWFBOOK-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.28
Rot. Bonds3

About 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol

2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol (PubChem CID 116863268) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
PubChem CID116863268
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1ccc2cc(C(O)CBr)ccc2c1
InChIInChI=1S/C13H13BrO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7,13,15H,8H2,1H3
InChIKeyCVNZOXOWWFBOOK-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783
1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
CID 65148590
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
2-(6-methoxynaphthalen-2-yl)-4-methylpentan-3-ol
CID 79298435
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65148591

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol?
The IUPAC name of 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol (CID 116863268) is 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol?
The canonical SMILES for 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol is COc1ccc2cc(C(O)CBr)ccc2c1.
What is the InChIKey of 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol?
The InChIKey is CVNZOXOWWFBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7,13,15H,8H2,1H3.
What are the key properties of 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol?
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol has a molecular weight of 281.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 116863268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).