2-(4-bromonaphthalen-1-yl)acetic acid

C12H9BrO2 — CID 21577

IUPAC2-(4-bromonaphthalen-1-yl)acetic acid
SMILESO=C(O)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C12H9BrO2/c13-11-6-5-8(7-12(14)15)9-3-1-2-4-10(9)11/h1-6H,7H2,(H,14,15)
InChIKeyVIMWRMDQHHYVOY-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-bromonaphthalen-1-yl)acetic acid

2-(4-bromonaphthalen-1-yl)acetic acid (PubChem CID 21577) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)acetic acid
PubChem CID21577
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name2-(4-bromonaphthalen-1-yl)acetic acid
SMILESO=C(O)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C12H9BrO2/c13-11-6-5-8(7-12(14)15)9-3-1-2-4-10(9)11/h1-6H,7H2,(H,14,15)
InChIKeyVIMWRMDQHHYVOY-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)acetic acid (CID 21577) is 2-(4-bromonaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)acetic acid is O=C(O)Cc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)acetic acid?
The InChIKey is VIMWRMDQHHYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c13-11-6-5-8(7-12(14)15)9-3-1-2-4-10(9)11/h1-6H,7H2,(H,14,15).
What are the key properties of 2-(4-bromonaphthalen-1-yl)acetic acid?
2-(4-bromonaphthalen-1-yl)acetic acid has a molecular weight of 265.11 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)acetic acid is sourced from PubChem (CID 21577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).