2-(3-bromonaphthalen-2-yl)ethanol

C12H11BrO — CID 19359609

IUPAC2-(3-bromonaphthalen-2-yl)ethanol
SMILESOCCc1cc2ccccc2cc1Br
InChIInChI=1S/C12H11BrO/c13-12-8-10-4-2-1-3-9(10)7-11(12)5-6-14/h1-4,7-8,14H,5-6H2
InChIKeyJNMXHBHIYCBBFG-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.14
Rot. Bonds2

About 2-(3-bromonaphthalen-2-yl)ethanol

2-(3-bromonaphthalen-2-yl)ethanol (PubChem CID 19359609) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-(3-bromonaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromonaphthalen-2-yl)ethanol
PubChem CID19359609
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-(3-bromonaphthalen-2-yl)ethanol
SMILESOCCc1cc2ccccc2cc1Br
InChIInChI=1S/C12H11BrO/c13-12-8-10-4-2-1-3-9(10)7-11(12)5-6-14/h1-4,7-8,14H,5-6H2
InChIKeyJNMXHBHIYCBBFG-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromonaphthalen-2-yl)ethanol?
The IUPAC name of 2-(3-bromonaphthalen-2-yl)ethanol (CID 19359609) is 2-(3-bromonaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromonaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(3-bromonaphthalen-2-yl)ethanol is OCCc1cc2ccccc2cc1Br.
What is the InChIKey of 2-(3-bromonaphthalen-2-yl)ethanol?
The InChIKey is JNMXHBHIYCBBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c13-12-8-10-4-2-1-3-9(10)7-11(12)5-6-14/h1-4,7-8,14H,5-6H2.
What are the key properties of 2-(3-bromonaphthalen-2-yl)ethanol?
2-(3-bromonaphthalen-2-yl)ethanol has a molecular weight of 251.12 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromonaphthalen-2-yl)ethanol is sourced from PubChem (CID 19359609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).