5-bromo-3,4-dihydronaphthalene-2-carboxylic acid

C11H9BrO2 — CID 83843818

IUPAC5-bromo-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=Cc2cccc(Br)c2CC1
InChIInChI=1S/C11H9BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,6H,4-5H2,(H,13,14)
InChIKeyUGFIVIVXRRKFOE-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.86
Rot. Bonds1

About 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid

5-bromo-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 83843818) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID83843818
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name5-bromo-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=Cc2cccc(Br)c2CC1
InChIInChI=1S/C11H9BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,6H,4-5H2,(H,13,14)
InChIKeyUGFIVIVXRRKFOE-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid (CID 83843818) is 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid is O=C(O)C1=Cc2cccc(Br)c2CC1.
What is the InChIKey of 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is UGFIVIVXRRKFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,6H,4-5H2,(H,13,14).
What are the key properties of 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid?
5-bromo-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 253.09 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 83843818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).