2-(1-bromoethyl)naphthalen-1-ol

C12H11BrO — CID 140980182

IUPAC2-(1-bromoethyl)naphthalen-1-ol
SMILESCC(Br)c1ccc2ccccc2c1O
InChIInChI=1S/C12H11BrO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-8,14H,1H3
InChIKeyLMPRDXZDNJXTAS-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.00
Rot. Bonds1

About 2-(1-bromoethyl)naphthalen-1-ol

2-(1-bromoethyl)naphthalen-1-ol (PubChem CID 140980182) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-(1-bromoethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(1-bromoethyl)naphthalen-1-ol
PubChem CID140980182
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-(1-bromoethyl)naphthalen-1-ol
SMILESCC(Br)c1ccc2ccccc2c1O
InChIInChI=1S/C12H11BrO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-8,14H,1H3
InChIKeyLMPRDXZDNJXTAS-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
CID 70490928
2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
CID 19862843
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
CID 82958439
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793
2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958657
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 82958965

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)naphthalen-1-ol?
The IUPAC name of 2-(1-bromoethyl)naphthalen-1-ol (CID 140980182) is 2-(1-bromoethyl)naphthalen-1-ol.
What is the SMILES notation for 2-(1-bromoethyl)naphthalen-1-ol?
The canonical SMILES for 2-(1-bromoethyl)naphthalen-1-ol is CC(Br)c1ccc2ccccc2c1O.
What is the InChIKey of 2-(1-bromoethyl)naphthalen-1-ol?
The InChIKey is LMPRDXZDNJXTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-8,14H,1H3.
What are the key properties of 2-(1-bromoethyl)naphthalen-1-ol?
2-(1-bromoethyl)naphthalen-1-ol has a molecular weight of 251.12 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)naphthalen-1-ol is sourced from PubChem (CID 140980182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).