3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid

C15H15BrO3 — CID 79622347

IUPAC3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid
SMILESCC(C)(COc1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H15BrO3/c1-15(2,14(17)18)9-19-13-6-4-10-7-12(16)5-3-11(10)8-13/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyHGXNCJWTDIDVBT-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.09
Rot. Bonds4

About 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid

3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid (PubChem CID 79622347) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid
PubChem CID79622347
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid
SMILESCC(C)(COc1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H15BrO3/c1-15(2,14(17)18)9-19-13-6-4-10-7-12(16)5-3-11(10)8-13/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyHGXNCJWTDIDVBT-UHFFFAOYSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-amino-3-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79622341
3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79628620
3-(3-amino-5-bromophenoxy)-2,2-dimethylpropanoic acid
CID 103588253
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999806
3-(4-iodophenoxy)-2,2-dimethylpropanoic acid
CID 79622093
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
3-(4-bromo-2-nitrophenoxy)-2,2-dimethylpropanoic acid
CID 79622372
3-[4-(4-chlorophenoxy)phenoxy]-2,2-dimethylpropanoic acid
CID 146594283
3-(3-acetylphenoxy)-2,2-dimethylpropanoic acid
CID 79623207
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid (CID 79622347) is 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid is CC(C)(COc1ccc2cc(Br)ccc2c1)C(=O)O.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid?
The InChIKey is HGXNCJWTDIDVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-15(2,14(17)18)9-19-13-6-4-10-7-12(16)5-3-11(10)8-13/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid?
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid has a molecular weight of 323.19 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79622347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).