2-bromo-1-naphthalen-2-ylethanol

C12H11BrO — CID 13102054

IUPAC2-bromo-1-naphthalen-2-ylethanol
SMILESOC(CBr)c1ccc2ccccc2c1
InChIInChI=1S/C12H11BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8H2
InChIKeyHDRFYKFGBRXGRR-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.27
Rot. Bonds2

About 2-bromo-1-naphthalen-2-ylethanol

2-bromo-1-naphthalen-2-ylethanol (PubChem CID 13102054) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-bromo-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-bromo-1-naphthalen-2-ylethanol
PubChem CID13102054
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-bromo-1-naphthalen-2-ylethanol
SMILESOC(CBr)c1ccc2ccccc2c1
InChIInChI=1S/C12H11BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8H2
InChIKeyHDRFYKFGBRXGRR-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.27
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

1-Naphthalenemethanol
CID 20908
9-Anthracenemethanol
CID 73848
1-Pyrenemethanol
CID 104977
2-Naphthalenemethanol
CID 74128
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
1-(1-Pyrenyl)ethanol
CID 119118
2-Pyrenemethanol
CID 146932
rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol
CID 156317
Benz(a)anthracene-7-methanol
CID 85290
2-Naphthaleneethanol
CID 73877
1-(2,4-Dimethylphenyl)ethanol
CID 21475
Phenanthren-4-methanol
CID 89868

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-naphthalen-2-ylethanol?
The IUPAC name of 2-bromo-1-naphthalen-2-ylethanol (CID 13102054) is 2-bromo-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-bromo-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-bromo-1-naphthalen-2-ylethanol is OC(CBr)c1ccc2ccccc2c1.
What is the InChIKey of 2-bromo-1-naphthalen-2-ylethanol?
The InChIKey is HDRFYKFGBRXGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8H2.
What are the key properties of 2-bromo-1-naphthalen-2-ylethanol?
2-bromo-1-naphthalen-2-ylethanol has a molecular weight of 251.12 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-naphthalen-2-ylethanol is sourced from PubChem (CID 13102054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).