1-(1-bromonaphthalen-2-yl)ethanol

C12H11BrO — CID 67247455

IUPAC1-(1-bromonaphthalen-2-yl)ethanol
SMILESCC(O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H11BrO/c1-8(14)10-7-6-9-4-2-3-5-11(9)12(10)13/h2-8,14H,1H3
InChIKeyKIOYYAWDUXLEIZ-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.66
Rot. Bonds1

About 1-(1-bromonaphthalen-2-yl)ethanol

1-(1-bromonaphthalen-2-yl)ethanol (PubChem CID 67247455) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-(1-bromonaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-bromonaphthalen-2-yl)ethanol
PubChem CID67247455
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name1-(1-bromonaphthalen-2-yl)ethanol
SMILESCC(O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H11BrO/c1-8(14)10-7-6-9-4-2-3-5-11(9)12(10)13/h2-8,14H,1H3
InChIKeyKIOYYAWDUXLEIZ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromonaphthalen-2-yl)ethanol?
The IUPAC name of 1-(1-bromonaphthalen-2-yl)ethanol (CID 67247455) is 1-(1-bromonaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(1-bromonaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(1-bromonaphthalen-2-yl)ethanol is CC(O)c1ccc2ccccc2c1Br.
What is the InChIKey of 1-(1-bromonaphthalen-2-yl)ethanol?
The InChIKey is KIOYYAWDUXLEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-8(14)10-7-6-9-4-2-3-5-11(9)12(10)13/h2-8,14H,1H3.
What are the key properties of 1-(1-bromonaphthalen-2-yl)ethanol?
1-(1-bromonaphthalen-2-yl)ethanol has a molecular weight of 251.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromonaphthalen-2-yl)ethanol is sourced from PubChem (CID 67247455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).