2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

C13H15BrO2 — CID 117454978

IUPAC2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C13H15BrO2/c1-8(13(15)16)10-6-9-4-2-3-5-11(9)12(14)7-10/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFQZKBNCZVHJEOF-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.52
Rot. Bonds2

About 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 117454978) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID117454978
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C13H15BrO2/c1-8(13(15)16)10-6-9-4-2-3-5-11(9)12(14)7-10/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFQZKBNCZVHJEOF-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84708520
2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
CID 84712529
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84702409
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)butanal
CID 117421033
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid
CID 117493974
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117481875
2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117354065
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 165075816
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanoic acid
CID 117454483
3-amino-1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 117453193
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-oxoacetic acid
CID 117481511

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (CID 117454978) is 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is CC(C(=O)O)c1cc(Br)c2c(c1)CCCC2.
What is the InChIKey of 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is FQZKBNCZVHJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-8(13(15)16)10-6-9-4-2-3-5-11(9)12(14)7-10/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 283.16 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 117454978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).