5-[(4-bromophenyl)methoxy]pentanoic acid

C12H15BrO3 — CID 82827863

IUPAC5-[(4-bromophenyl)methoxy]pentanoic acid
SMILESO=C(O)CCCCOCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO3/c13-11-6-4-10(5-7-11)9-16-8-2-1-3-12(14)15/h4-7H,1-3,8-9H2,(H,14,15)
InChIKeyDDIUDJXMLTVKAY-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.22
Rot. Bonds7

About 5-[(4-bromophenyl)methoxy]pentanoic acid

5-[(4-bromophenyl)methoxy]pentanoic acid (PubChem CID 82827863) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methoxy]pentanoic acid.

Molecular Properties

Compound Name5-[(4-bromophenyl)methoxy]pentanoic acid
PubChem CID82827863
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name5-[(4-bromophenyl)methoxy]pentanoic acid
SMILESO=C(O)CCCCOCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO3/c13-11-6-4-10(5-7-11)9-16-8-2-1-3-12(14)15/h4-7H,1-3,8-9H2,(H,14,15)
InChIKeyDDIUDJXMLTVKAY-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
3-[2-(4-bromophenyl)ethoxy]propanoic acid
CID 68701118
oxan-2-one;5-phenylmethoxypentanoic acid
CID 159909942
8-[2-(7-carboxyheptoxy)-3-[2-[2-[2-(2-phenylmethoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]propoxy]octanoic acid
CID 169059619
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
12-[(9,10-dioxoanthracen-2-yl)methoxy]dodecanoic acid
CID 102122299
8-[(3-fluorophenyl)methoxy]octanoic acid
CID 66874952

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methoxy]pentanoic acid?
The IUPAC name of 5-[(4-bromophenyl)methoxy]pentanoic acid (CID 82827863) is 5-[(4-bromophenyl)methoxy]pentanoic acid.
What is the SMILES notation for 5-[(4-bromophenyl)methoxy]pentanoic acid?
The canonical SMILES for 5-[(4-bromophenyl)methoxy]pentanoic acid is O=C(O)CCCCOCc1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methoxy]pentanoic acid?
The InChIKey is DDIUDJXMLTVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c13-11-6-4-10(5-7-11)9-16-8-2-1-3-12(14)15/h4-7H,1-3,8-9H2,(H,14,15).
What are the key properties of 5-[(4-bromophenyl)methoxy]pentanoic acid?
5-[(4-bromophenyl)methoxy]pentanoic acid has a molecular weight of 287.15 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methoxy]pentanoic acid is sourced from PubChem (CID 82827863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).