2-(2-bromophenyl)-5,5-dimethylhexanoic acid

C14H19BrO2 — CID 79439814

IUPAC2-(2-bromophenyl)-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(C(=O)O)c1ccccc1Br
InChIInChI=1S/C14H19BrO2/c1-14(2,3)9-8-11(13(16)17)10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3,(H,16,17)
InChIKeyRZCLZRAXGCYUCQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.44
Rot. Bonds4

About 2-(2-bromophenyl)-5,5-dimethylhexanoic acid

2-(2-bromophenyl)-5,5-dimethylhexanoic acid (PubChem CID 79439814) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-5,5-dimethylhexanoic acid
PubChem CID79439814
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name2-(2-bromophenyl)-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(C(=O)O)c1ccccc1Br
InChIInChI=1S/C14H19BrO2/c1-14(2,3)9-8-11(13(16)17)10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3,(H,16,17)
InChIKeyRZCLZRAXGCYUCQ-UHFFFAOYSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 104565058
2-(2-chlorophenyl)-6,6-dimethylheptanoic acid
CID 114209661
2-(2-bromophenyl)-4-propylsulfonylbutanoic acid
CID 106727852
2-(2-amino-3-chlorophenyl)-5,5-dimethylhexanoic acid
CID 106987495
2-[(2-bromophenyl)-hydroxymethyl]pentanoic acid
CID 83043357
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
5,5-dimethyl-2-(3-methylphenyl)hexanoic acid
CID 79437191
4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one
CID 141224768
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5,5-dimethylhexanoic acid?
The IUPAC name of 2-(2-bromophenyl)-5,5-dimethylhexanoic acid (CID 79439814) is 2-(2-bromophenyl)-5,5-dimethylhexanoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-5,5-dimethylhexanoic acid?
The canonical SMILES for 2-(2-bromophenyl)-5,5-dimethylhexanoic acid is CC(C)(C)CCC(C(=O)O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-5,5-dimethylhexanoic acid?
The InChIKey is RZCLZRAXGCYUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-14(2,3)9-8-11(13(16)17)10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-bromophenyl)-5,5-dimethylhexanoic acid?
2-(2-bromophenyl)-5,5-dimethylhexanoic acid has a molecular weight of 299.21 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5,5-dimethylhexanoic acid is sourced from PubChem (CID 79439814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).