2-[(4-bromophenyl)methoxy]pentanoic acid

C12H15BrO3 — CID 83037540

IUPAC2-[(4-bromophenyl)methoxy]pentanoic acid
SMILESCCCC(OCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C12H15BrO3/c1-2-3-11(12(14)15)16-8-9-4-6-10(13)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,14,15)
InChIKeyVIILCNQCGUKAQZ-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.22
Rot. Bonds6

About 2-[(4-bromophenyl)methoxy]pentanoic acid

2-[(4-bromophenyl)methoxy]pentanoic acid (PubChem CID 83037540) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]pentanoic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]pentanoic acid
PubChem CID83037540
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-[(4-bromophenyl)methoxy]pentanoic acid
SMILESCCCC(OCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C12H15BrO3/c1-2-3-11(12(14)15)16-8-9-4-6-10(13)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,14,15)
InChIKeyVIILCNQCGUKAQZ-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate
CID 11381066
2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
CID 103224152
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
2-[(3-chlorophenyl)methoxy]pentanoic acid
CID 83038083
2-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid
CID 83038249
3-(4-bromophenyl)-2-butoxypropanoic acid
CID 133245447
2-phenylmethoxybutanoic acid
CID 11816388
5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015
5-hydroxy-2-phenylmethoxypentanoic acid
CID 141073018
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
2-[[2,4-bis(sulfanyl)phenyl]methoxy]pentanoic acid
CID 141382533
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]pentanoic acid?
The IUPAC name of 2-[(4-bromophenyl)methoxy]pentanoic acid (CID 83037540) is 2-[(4-bromophenyl)methoxy]pentanoic acid.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]pentanoic acid?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]pentanoic acid is CCCC(OCc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]pentanoic acid?
The InChIKey is VIILCNQCGUKAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-2-3-11(12(14)15)16-8-9-4-6-10(13)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 2-[(4-bromophenyl)methoxy]pentanoic acid?
2-[(4-bromophenyl)methoxy]pentanoic acid has a molecular weight of 287.15 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]pentanoic acid is sourced from PubChem (CID 83037540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).